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Publications

Below a list of publications from Projects funded through the UK Catalysis Hub research 2013 – 2021.

Please inform the Project Manager of all Publications arising from Hub Projects. Please see the acknowledgements page for instructions.

Featured Publications
UK Catalysis Hub special double issue of Philosophical Transactions A: Exploring the length scales, timescales and chemistry of challenging materials

Royal Society Publishing has recently published a special double issue of Philosophical Transactions A:  Exploring the length scales, timescales and chemistry of challenging materials (Part 1 & II) compiled and edited by UK Catalysis Hub members including C Richard A Catlow and Martin Wilding.

The physical and chemical properties of different materials reflect interactions over different length and timescales. In this theme issue, we show how such interactions are important in different disciplines and how, by using state of the art experimental techniques and computational modelling, a deep understanding of atomistic and molecular interactions can be developed. In two volumes we highlight new research in physics, chemistry, Earth science, material science and biochemistry that demonstrate how different length and timescales influence the complex process in the solid state, in catalysis, at high pressure in biomechanics, and in the amorphous and liquid state. We illustrate how these combined approaches can be used to further explore the complexity of new and challenging materials.

Read the articles at www.bit.ly/TransA2258 and www.bit.ly/TransA2259 

A Workflow Demonstrator for Processing Catalysis Research Data

Article from the UK Catalysis Hub by Abraham Nieva de la Hidalga in collaboration with UK Catalysis Hub Researchers and  Computing, STFC: A Workflow Demonstrator for Processing Catalysis Research Data in ‘Data Intelligence.’ Catalysis research data is often complex and heterogeneous, requiring advanced tools and methods for processing and analysis. In this article, the authors present a workflow demonstrator for processing catalysis research data using scientific workflows. The workflow demonstrator is a prototype of a virtual research environment that supports large-scale data processing and analysis for the UK Catalysis Hub community. The article shows how scientific workflows can enhance the quality and efficiency of catalysis research data processing and analysis, and how a virtual research environment can foster collaboration and innovation among a diverse and multidisciplinary community of scientists. The article contributes to the advancement of catalysis science and its applications in various domains such as energy, environment, health, and industry. This article is important because it addresses the challenges and opportunities of data-intensive science in catalysis research. It also demonstrates how to apply the FAIR principles for catalysis research data, which are essential for ensuring reproducibility, provenance tracking, and data sharing.

Read the full text at https://direct.mit.edu/dint/article/4/2/455/109845/A-Workflow-Demonstrator-for-Processing-Catalysis

Modern Developments in Catalysis Vol II

The UK Catalysis Hub have published a new edition of Modern Developments with publishers World Scientific. Modern Developments in Catalysis, Volume 2 provides a review and update of current research and practice on catalysis. Topics range from the treatment of water using novel techniques for carbon neutrality, cutting-edge techniques using intense radiation including Operando Synchrotron Infrared Microspectroscopy to innovation in homogeneous catalysis, heterogeneous catalysis and biocatalysis. This book provides insight into one of the most important areas of modern chemistry — it represents a unique learning opportunity for students and professionals studying and working towards speeding up, improving and increasing the rate of catalytic reactions in science and industry. Editors included Graham Hutchings (Cardiff University, UK),  Matthew Davidson (University of Bath, UK),  Richard Catlow (University College London, UK & Cardiff University, UK),  Christopher Hardacre (University of Manchester, UK),  Nicholas Turner(University of Manchester, UK),  Charlotte Williams (University of Oxford, UK),  Adrian Mulholland (University of Bristol, UK),  Josie Goodall (UK Catalysis Hub, UK & Cardiff University, UK), and  Chris Mitchell (SABIC UK Petrochemicals Ltd, UK).

For more information visit https://doi.org/10.1142/q0354

UK Catalysis Hub special RSC collection

A special collection of thematically related manuscripts by UK Catalysis Hub members has been published by Royal Society Open Science.

The papers in the collection explore catalytic chemistry and represent institutions in each of four constituent nations of the United Kingdom; they also showcase the global nature of science: several of the papers are international collaborations with non-UK partner institutions. Many papers feature the work of early career members of the community, and they illustrate the breadth of current catalytic science.

An introduction to the collection by the guest editor Prof. Richard Catlow can be found at https://royalsocietypublishing.org/doi/10.1098/rsos.230484

Read the full collection at https://royalsocietypublishing.org/topic/special-collections/catalysis-hub.

Cd/Pt Precursor Solution for Solar H2 Production and in situ Photochemical Synthesis of Pt Single-atom Decorated CdS Nanoparticles

Dr Pankaj Sharma has a new paper, “Cd/Pt Precursor Solution for Solar H2 Production and in situ Photochemical Synthesis of Pt Single-atom Decorated CdS Nanoparticles“ published in Angew. Chem. Int. Ed. In this research article, we demonstrate the use of Cd/Pt precursor solutions for significant photocatalytic H2 production, removing the need for a pre-synthesized photocatalyst. In addition, we also report the simultaneous in-situ synthesis of Pt single-atoms anchored CdS nanoparticles (PtSA-CdSIS) during photoirradiation. The highly dispersed in-situ incorporation of extensive Pt single atoms on CdSIS enables the enhancement of active sites and suppresses charge recombination, which results in exceptionally high solar-to-hydrogen conversion efficiency and an apparent quantum yield for H2 production. This work not only provides a promising strategy for maximising H2production efficiency but also provides a green process for H2production and the synthesis of highly photoactive PtSA-CdSISsemiconductor material. Read the full article at https://doi.org/10.1002/anie.202301239

The project was in collaboration with Cardiff University, UCL, Kurukshetra University, Diamond Light Source, EPSRC National Facility for XPS (“HarwellXPS”), Research Complex, Central Laser Facility, Science and Technology Facilities Council (STFC) and the UK Catalysis Hub.

Supramolecular Ionic Liquid Gels for Enzyme Entrapment

Hasan T. Imam has published a new paper Supramolecular Ionic Liquid Gels for Enzyme Entrapment in ACS Sustainable Chem. Eng. with Kyle Hill, Andrew Reid, Stefan Mix, Patricia C. Marr and Andrew C. Marr.

Lipase from Aneurinibacillus thermoaerophilus was entrapped and immobilized in a supramolecular gel formed by a low molecular weight gelator (LMWG) in an ionic liquid (IL). The LMWG was prepared from the amino acid phenylalanine. The IL, trihexyl tetradecyl phosphonium bis-triflamide, provided a hydrophobic environment inside the gel that supported hydrolysis activity and enabled turnover in aqueous solution, easy separation & recycling, and greater longevity than the free enzyme. Beads were formed using a silicone mold. Enzyme doped beads were shown to retain activity after 11 runs, over 150 days and 1 x 106 turnovers.

The project was a collaboration with ASEP, School of Chemistry & Chemical Engineering, Mechanical & Aerospace Engineering, Queen’s University Belfast, and the Almac Group.

Read the full paper at https://doi.org/10.1021/acssuschemeng.3c00517

Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts

Jonathan Ruiz Esquius has published a new paper, “Lithium-Directed Transformation of Amorphous Iridium (Oxy)hydroxides To Produce Active Water Oxidation Catalysts” in the Journal of the American Chemical Society. The oxygen evolution reaction (OER) is crucial to energy systems based on water electrolysis. Iridium oxides are promising catalysts due to their resistance to corrosion under acidic and oxidising conditions. Iridium (oxy)hydroxides prepared using alkali metal bases transform into low-activity rutile IrO2 at elevated temperatures (>350 °C) during catalyst/electrode preparation. Depending on the residual amount of alkali metal, we show that this transformation can result in either rutile IrO2 or nano-crystalline Li-intercalated IrOx.. The Li-intercalated IrOx has comparative activity and improved stability when compared to the highly active amorphous material despite being treated at 500 °C. This highly active nano crystalline lithium iridate is more resistant to industrial procedures to produce PEM membranes and provides a route to stabilize the high populations of redox-active sites of amorphous iridium (oxy)hydroxides. The project included a collaboration with the Max Planck-Cardiff Centre on the Fundamentals of Heterogeneous Catalysis FUNCAT, Cardiff Catalysis Institute, Diamond Light Source, Helmholtz Institut Erlangen-NĂŒrnberg, Loughborough University, University of Salford, University of Bath and UK Catalysis Hub. Read the full paper at https://doi.org/10.1021/jacs.2c13567

Insights into selective hydrogenation of levulinic acid using copper on manganese oxide octahedral molecular sieves

The researchers at Queen’s University Belfast (QUB) UK in collaboration with the UK Catalysis Hub, have developed a new catalytic process for liquid phase hydrogenation of biomass derived levulinic acid to g-valerolactone (GVL) using Copper on manganese oxide catalysts in water as solvent. GVL is one of the key platform chemicals, for application as fuel additive and a precursor to produce sustainable jet fuels and renewable fuel range hydrocarbons. The GVL technology developed by QUB researchers is an important milestone on the road to net zero emissions.   To read the full article visit https://doi.org/10.1098/rsos.220078

Directed evolution of an efficient and thermostable PET depolymerase

An article by researchers at the University of Manchester in collaboration with the UK Catalysis Hub has been published in Nature Catalysis describing the evolution of an efficient PET depolymerase that can deconstruct semi-crystalline PET plastic into its component monomers at elevated temperatures. The engineering of this enzyme was enabled by the development of a high-throughput, automated PET depolymerisation screening and analysis workflow, allowing thousands of  enzyme variants to be assessed in a few days. The resulting engineered enzyme, HotPETase, can operate above the glass transition temperature of PET (60-70°C), is able to deconstruct crystalline PET more rapidly than other reported PETases, and can selectively depolymerise the PET portion of a real-world packaging composite film lid that is challenging to recycle using other methods. Read the article online at: https://doi.org/10.1038/s41929-022-00821-3.

Fracking wastewater treatment: Catalytic performance and life cycle environmental impacts of cerium-based mixed oxide catalysts for catalytic wet oxidation of organic compounds

UK Catalysis Hub authors Xiaoxia Ou and collaborators Marco Tomatis, Billy Payne, Helen Daly, Sarayute Chansai, Xiaolei Fan, Carmine D’Agostino, Adisa Azapagic and Christopher Hardacre published a new paper “Fracking wastewater treatment: Catalytic performance and life cycle environmental impacts of cerium-based mixed oxide catalysts for catalytic wet oxidation of organic compounds.” Water scarcity and the consequent increase of freshwater prices are a cause for concern in regions where shale gas is being extracted via hydraulic fracturing. Wastewater treatment methods aimed at reuse/recycle of fracking wastewater can help reduce water stress of the fracking process. Accordingly, this study assessed the catalytic performance and life cycle environmental impacts of cerium-based mixed oxide catalysts for catalytic wet oxidation (CWO) of organic contaminants to investigate their potential as catalysts for fracking wastewater treatment. It was found that CWO with MnCeOx removes 94 % of organics while CuCeOx is much less efficient and leads to severe copper leaching, and MnCeOx has lower life cycle environmental impacts than CuCeOx. The impacts of CWO are 94–99 % lower than of ozonation and catalytic treatment improves the overall environmental sustainability of fracking. Read the full paper online at https://doi.org/10.1016/j.scitotenv.2022.160480

Enhanced H2O2 Production via Photocatalytic O2 Reduction over Structurally-Modified Poly(heptazine imide)

Dr Pankaj Sharma has a new paper in collaboration with the Cardiff Catalysis Institute and UCL Chemistry – Enhanced H2O2 Production via Photocatalytic O2 Reduction over Structurally-Modified Poly(heptazine imide). The paper describes the synthesis and potential use of an alkali metal-halide modulated C-N based poly(heptazine imide) (MX→PHI) molecular photocatalyst to produce green energy carrier (H2O2). Higher solar H2O2 production rate for MX→PHI has been reported. The work was done at Research Complex at Harwell and Diamond Light Source. Read more at https://pubs.acs.org/doi/10.1021/acs.chemmater.2c00528.

Process-oriented approach towards catalyst design and optimisation

Dr Mohammad Reza Abbasi has published a new paper in Catalysis Communications of work resulting from a collaboration involving the UK Catalysis Hub, UCL, University of Leeds and Durham University. This work proposes a systematic methodology that aids the translation of catalysts developed in academia to industrial end-users. This remains a challenge due to a lack of knowledge about the impact of catalyst attributes on the whole process during the catalyst development or screening stage and this work tries to bridge this gap by assessing the impact of catalysts on a process in terms of Key Performance Indicators (KPIs).

Read the paper at https://doi.org/10.1016/j.catcom.2021.106392

Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade

A new paper from Dr Yiping Shi describes successful efforts of a collaboration with The Dyer Group at Durham University and the UK Catalysis Hub to establish a simple integrated cascade flow methodology for the direct conversion of n-butanol to propene, by combining catalytic dehydration, isomerisation, and cross-metathesis steps in a single flow sheet. Zeolite H-ZSM-5 gives high conversion in the initial n-butanol dehydration step (98%). Subsequent isomerisation of terminal butenes to internal butenes over zeolite H-Fer takes place with good conversion (87%). Finally, cross-metathesis with ethene over a tungsten on acid-washed SiO2/Al2O3 catalyst affords propene with good selectivity (65%). Coupling these three steps into a single flow sheet gives an overall yield of 64% propene from n-BuOH. To the best of her knowledge, this is the first time that a single flow system for the preparation of propene from n-butanol has been described in the open literature. The development of a flow system that can convert n-butanol to propene is significant. Not only does today’s current demand for propene outstrip supply, but also the methodology can be extended to use bio-derived alcohol feeds, thus offering a sustainable route for the manufacture of propene.

Read the paper at https://doi.org/10.1016/j.catcom.2022.106421

Designing a data infrastructure for catalysis science

A new paper from Abraham Nieva De La Hidalga published in Catalysis Communications discusses the management of research data in the field of catalysis research. The paper proposes a tool to support data management in the form of a catalogue for catalysis research data linked to context (publications, researchers, and institutions). Read at https://doi.org/10.1016/j.catcom.2021.106384

Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets

Dr Shaojun Xu of the UK catalysis Hub collaborated with Sun Yat-sen University on a project which resulted in an article published in Green Chemistry on 24th April 2021. The article’s co-first authors are Biying Liu (Sun Yat-sen University supervised by Prof Kai Yan) and Dr Shaojun Xu (Cardiff University and of who was supervised by Professor Sir Richard Catlow at Cardiff and Dr Emma Gibson at Glasgow). Many UK Catalysis Hub researchers and professors were involved.

Rational design of low-cost and active electrocatalysts is crucial for upgrading of biomass-derived chemicals. Here, they report highly efficient catalysts ternary NiCoMn-layered double hydroxides (NiCoMn-LDHs) nanosheets which are oxygen vacancy-rich, produced under controllable conditions for the electrooxidation of both 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) and furfural to furoic acid (FurAc) under mild conditions, respectively. High yields of FDCA (91.7%) and FurAc (92.4%) were achieved in 2.5 h using 1.15 nm thick NiCoMn-LDHs nanosheets under the optimal conditions. The mechanism for the superior performance, high durability, and good faradaic efficiency has been elucidated by comprehensive characterization.

Read the article online at https://doi.org/10.1039/D1GC00901J

Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering QENS study

An article was published in Topics in Catalysis by members of the UK Catalysis Hub including Matam, S.K., Catlow, C.R.A., Silverwood, I.P. et al. 

Quasi-elastic neutron scattering (QENS) studies on methanol dynamics in zeolite H-ZSM-5 (Si/Al of 25) reveal that the majority of methanol is immobile, and the mobile methanol fraction presents temperature dependent dynamics. Isotropic rotational dynamics are observed at 298K, and above this temperature translational diffusional dynamics are detected.

Read the article online at http://link.springer.com/article/10.1007/s11244-021-01450-z

The role of Zn in the sustainable one-pot synthesis of dimethyl carbonate from carbon dioxide, methanol and propylene oxide

The UK Catalysis Hub collaborated in a project which resulted in a new paper in Chemical Engineering Science, “The role of Zn in the sustainable one-pot synthesis of dimethyl carbonate from carbon dioxide, methanol and propylene oxide.” The papers authors were Ming Liu, Mariia Konstantinova, Leila Negahdar and James McGregor. Carbon dioxide (CO2) is most discussed in negative terms as a greenhouse gas and major contributor to anthropogenic climate change. However, CO2 can be converted directly to green chemicals as it can incorporate waste resources in the production of value-added, sustainable substances. In this research, carbon dioxide has been utilised in the synthesis of dimethyl carbonate (DMC) ̶ a greener alternative to more hazardous materials, e.g., phosgene or dimethyl sulphate. The catalyst system of K2CO3-NaBr-ZnO has been employed in the synthesis of dimethyl carbonate from methanol, propylene oxide and carbon dioxide. The addition of Zn powder to this catalyst system promotes DMC formation through new reaction routes and increases the stability of the catalyst by preventing the active ingredients on the catalyst surface from leaching. Elevated pressure was not found to be a necessary reaction condition. This study shows that higher selectivity towards DMC can be achieved at mild conditions with the addition of Zn powder. Visit https://doi.org/10.1016/j.ces.2020.116267 for the full paper.

Monitoring dynamics of defects and single Fe atoms Rosa Arrigo

A team led by Rosa Arrigo (Salford University) and Manfred E. Schuster (Johnson Matthey) collaborated with the UK Catalysis Hub on work that resulted in an article published in the Journal of Energy Chemistry, Volume 64, 2022, Pages 520-530, “Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy.” In this study, they aimed to contribute an understanding of the pathway of formation of Fe species during top-down synthesis of dispersed Fe on N-functionalized few layer graphene, widely used in electrocatalysis. They used X-ray absorption spectroscopy to determine the electronic structure and coordination geometry of the Fe species and in situ high angle annular dark field scanning transmission electron microscopy combined with atomic resolved electron energy loss spectroscopy to localize these, identify their chemical configuration and monitor their dynamics during thermal annealing. Here they provide the experimental evidence of the formation of these polynuclear Fe–N sites and their structural characteristics. Read the full paper at https://doi.org/10.1016/j.jechem.2021.05.005

Relationship between Mn Oxidation State Changes and Oxygen Reduction Activity

An article was published in ACS Catalysis by members of the UK Catalysis Hub including Dr. Veronica Celorrio, Andrew S. Leach, Haoliang Huang, Shusaku Hayama, Adam Freeman, David W. Inwood, David J. Fermin, and Andrea E. Russell. In situ X-ray absorption and emission spectroscopies (XAS and XES) are used to provide details regarding the role of the accessibility and extent of redox activity of the Mn ions in determining the oxygen reduction activity of LaMnO3 and CaMnO3, with X-ray absorption near-edge structure (XANES) providing the average oxidation state, extended X-ray absorption fine structure (EXAFS) providing the local coordination environment, and XES providing the population ratios of the Mn2+, Mn3+, and Mn4+ sites as a function of the applied potential. The results presented have implications in terms of understanding of both the pseudocapacitive response of Mn oxide electrocatalysts and the processes behind degradation of the activity of the materials. Read the article online at https://doi.org/10.1021/acscatal.1c00997

LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome

Prof. Ben Davis’s group at Oxford University and the UK Catalysis Hub collaborated on a project with the University of Illinois at Urbana-Champaign and The Rosalind Franklin Institute, which resulted in an article published in Cell on 30 April 2021.

Enzyme-mediated damage repair or mitigation, while common for nucleic acids, is rare for proteins. Examples of protein damage are elimination of phosphorylated Ser/Thr to dehydroalanine/dehydrobutyrine (Dha/Dhb) in pathogenesis and aging. Bacterial LanC enzymes use Dha/Dhb to form carbon-sulfur linkages in antimicrobial peptides, but the functions of eukaryotic LanC-like (LanCL) counterparts are unknown. The work shows that LanCLs catalyze the addition of glutathione to Dha/Dhb in proteins, driving irreversible C-glutathionylation.

Read the paper “LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome” at https://doi.org/10.1016/j.cell.2021.04.001

Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma

The UK Catalysis Hub collaborated on a project which resulted in an article published in Cell Reports Physical Science on 17 February 2021. The article’s lead author is Dr Shaojun Xu of the Catalysis Hub at Cardiff University who was supervised by Professor Sir Richard Catlow at Cardiff and Prof Martin Schröder at Manchester. Many UK Catalysis Hub researchers and professors were involved.

Nitrogen oxide causes significant effects on the environment and human health. Xu et al. report, to the best of their knowledge, the first example of nonthermal plasma-activated direct decomposition of NO2 over stable and efficient metal-organic framework-based catalysts at room temperature and without the use of NH3 or other reducing agents.

https://doi.org/10.1016/j.xcrp.2021.100349

Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions

Venezia’s et al paper on a microfabricated catalytic reactor for time- and spatially-resolved experiments using operando XAS/DRIFTS studies, has been highlighted on the journal’s blog as a Catalysis Science & Technology Editor’s Choice.: https://blogs.rsc.org/cy/2021/01/25/catalysis-science-technology-editors-choice-january-2021/?doing_wp_cron=1611592847.4686930179595947265625

It will be  free to access until 26th April 2021.

Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes

Collaborating with T. J. Collins of Carnegie Mellon, USA, A.C. Marr, P.C. Marr & co. (QUB) demonstrated the oxidation of contaminant dyes in water by H2O2 activated by ionic liquid silica gels and spheres containing Fe-TAML. No need to dissolve metal complexes or add pH buffers. A paper on the work, “Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes” was published in Environ. Sci. Technol. 2020. Read the full article at https://doi.org/10.1021/acs.est.0c04279

Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts published in Nature Materials

A new article has been published in Nature Materials with members of UCL and the UK Catalysis Hub. Authors included: I. Lezcano-Gonzalez, E. Campbell, A. E. J. Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, K. De Wispelaere, V. Van Speybroeck and A. M. Beale. They report the combined results of an operando Kerr-gated Raman spectroscopic study with state-of-the-art operando molecular simulations, which allowed us to follow the formation of hydrocarbon species at various stages of methanol conversion. Read the article at DOI 10.1038/s41563-020-0800-y

Synchrotron Radiation Techniques in Catalytic Science themed issue of PCCP

A number of UK Catalysis Hub members have been involved in the editing and are authors of articles in the themed collection of articles Synchrotron Radiation Techniques in Catalytic Science in PCCP. Guest Edited by: Richard Catlow (University College London and University of Cardiff), Diego Gianolio (Diamond Light Source), Peter Wells (University of Southampton)

Techniques employing Synchrotron Radiation (SR) have had a transformative effect on catalytic science. The unique properties of SR have led to entirely new opportunities in diffraction, spectroscopy, small angle scattering and tomographical studies of catalytic materials. Moreover, SR has been crucial in enabling the growth of in situ experimental studies of catalytic processes under realistic operating conditions.

The collection is free to access until the end of November 2020. Read the articles online at https://doi.org/10.1039/D0CP90186E

Synchrotron Radiation and Catalytic Science

An article by members of the UK Catalysis Hub has been published in Synchrotron Radiation News on the benefits of synchrotron to the catalysis community, the Block allocation group access to B18 and key catalysis research facilitated by synchrotron. Read it at https://doi.org/10.1080/08940886.2020.1701368

Methanol loading dependent methoxylation in zeolite H-ZSM-5

We evaluate the effect of the number of methanol molecules per acidic site of H-ZSM-5 on the methoxylation reaction at room temperature by applying operando diffuse reflectance infrared Fourier transformed spectroscopy (DRIFTS) and mass spectrometry (MS), which capture the methoxylation reaction by simultaneously probing surface adsorbed species and reaction products, respectively. Room temperature methoxylation is methanol loading dependent: the higher the methanol loading, the faster the methoxylation. Methanol load of ≄2 leads to methoxylation while no methoxylation is observed with ≀1 molecule per BrĂžnsted acidic site.  Read more in Chemical Science at https://pubs.rsc.org/en/content/articlelanding/2020/sc/d0sc01924k#!divAbstract

Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces

An article was published in Dalton Transactions authored by members of the UK Catalysis Hub including Michael Higham, Matt Quesne, and C. Richard A. Catlow. Plane-wave Density Functional Theory (DFT) techniques were applied to investigate the mechanism of CO2 conversion to methanol over two low-index copper surfaces, namely Cu(110) and Cu(100). The calculations investigated several different mechanistic pathways, considering both formate (HCOO*) and hydrocarboxyl (COOH*) intermediates, as well as CO2 dissociation. For both of the two Cu facets investigated, the formate intermediate was found to be the favoured intermediate, although with close competition with the hydrocarboxyl intermediate, whilst the subsequent hydrogenation of CO after CO2 dissociation has taken place was found to have higher activation barriers. For both Cu(110) and Cu(100), a distinct metastable activated CO2 species was identified, in contrast to the most stable Cu(111) facet for which no such species was found. The present work will serve as a valuable benchmark study for future investigations on the mechanism of CO2 conversion to methanol over model Cu/ZnO catalysts which are representative of real industrial catalysts. Read more at https://pubs.rsc.org/en/content/articlelanding/2020/DT/D0DT00754D#!divAbstract

Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina

Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina
An article was published in Nature Communications co-authored by members of the UK Catalysis Hub. A high-pressure hybrid photothermal catalytic system was employed in CO2 hydrogenation to methanol, exhibiting 32% increase in methanol yield only under full spectrum (300-800 nm) irradiation. Irradiation of UV-rich (200-500 nm) light and visible (420-800 nm) light resulted in enhanced CO production. The synergistic nature of UV and visible light irradiation is attributed to the dual catalytic sites of Cu/ZnO/Al2O3, where Cu:ZnO perimeter interface is the main active site. The improved catalytic performance originated from the photoenhanced CO2 activation on ZnO surface under UV irradiation and H2 activation on Cu surface under visible light irradiation. The roles of ZnO and Cu are revealed by DRIFTS, XAS, XPS, and DFT, showing a more dynamic change in ZnO as well as stronger orbital overlapping in the valence band spectrum. The simultaneous irradiation of UV and visible light successfully decreases the reaction temperature by 50oC without sacrificing methanol yield and selectivity. The present work also provides a new perspective on catalyst design by manipulating the valence band electronic structure. This work was completed in collaboration with UNSW Sydney during the visit of Roong Jien Wong as Visiting Research Fellow, with direct contribution from Emma Gibson, June Callison, Michael Higham, Donato Decarolis, Prof Michael Bowker, and Prof Richard Catlow. The article was published in Nat Communications, 11, 1615 (2020). https://doi.org/10.1038/s41467-020-15445-z. Read more about the article.

Identification of single-site gold catalysis in acetylene hydrochlorination

Identification of single-site gold catalysis in acetylene hydrochlorination

The UK Catalysis Hub collaborated on a project which resulted in an article published in Science on 31 March 2017. The article’s lead author is Grazia Malta of the Cardiff Catalysis Institute at Cardiff University who was supervised by Professor Graham J. Hutchings. Many UK Catalysis Hub researchers and professors were involved. Authors included: Grazia Malta, Simon A. Kondrat, Simon J. Freakley, Catherine J. Davies, Li Lu, Simon Dawson, Adam Thetford, Emma K. Gibson, David J. Morgan, Wilm Jones, Peter P. Wells, Peter Johnston, C. Richard A. Catlow, Christopher J. Kiely and Graham J. Hutchings, The article titled, “Identification of single-site gold catalysis in acetylene hydrochlorination” was published in Science, 2017, Vol 355, Issue 6332, Pages. 1399-1403, DOI: 10.1126/science.aal3439.

Waste not, want not: CO2 (re)cycling into block polymers

Waste not, want not: CO2 (re)cycling into block polymers

The UK Catalysis Hub supported a project which resulted in an article published in Chemical Communications in June 2019. This article is part of the themed collection: Switchable Catalysis

The article’s lead author is Sumesh K. Raman of the University of Oxford who was supervised by Professor Charlotte Williams. Many UK Catalysis Hub researchers and professors were involved. Authors included: Robert Raja,   Polly L. Arnold,   Matthew G. Davidson  and  Charlotte K. Williams. Following on from this the project was highlighted in Chemistry World in the article “Carbon dioxide generated then recycled in polymerisation bicycle”. The article is open access at DOI: 10.1039/C9CC02459J

Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite

Abdul Nasir, Jamal has collaborated with the UK Catalysis Hub and authors from University College London, Cardiff University, the STFC Daresbury Laboratory to publish a new paper “Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite.” The copper-exchanged zeolite Cu-CHA have received considerable attention in recent years, owing to their application in the selective catalytic reduction (SCR) of NOx species. In this paper, they study the NH3-SCR reaction mechanism on Cu-CHA using a very high-level hybrid quantum mechanical/molecular mechanical (QM/MM) technique as implemented in the ChemShell software and state-of-the-art Diffuse Reflectance Infrared fourier-transform Spectroscopy (DRIFTS) experiments to investigate the effects of solvent molecules (both NH3 and H2O) on the reactivity of Cu-CHA active sites. The results show the promoting effect of solvent on the oxidation component of the NH3-SCR cycle; while there is an inhibition effect on the reduction component of the NH3-SCR cycle. The computational mechanistic study focuses on these results which complement and give insight to the experimental findings. From the data collected from experiments together with hybrid-QM/MM results, they then establish an assignment of the key vibrational signatures of the important species. The study provides additional understanding to unravel the influence of solvent on the energetics of the active sites and provides guidance for optimizing the NH3-SCR process. Read the full paper at https://doi.org/10.1021/jacs.2c09823

Chemical Recycling of Poly(Cyclohexene Carbonate) Using a Di-MgII Catalyst

Chemical recycling of polymers to true monomers is pivotal for a circular plastics economy. In this work, the team across Bath and Oxford in collaboration with the UK Catalysis Hub reported the first catalysed chemical recycling of the widely investigated carbon dioxide derived polymer, poly(cyclohexene carbonate), to cyclohexene oxide and CO2. The reaction requires dinuclear catalysis, with a di-MgII catalyst showing both high monomer selectivity (>98 %) and activity (TOF=150 h−1, 0.33 mol %, 120 °C). A joint experimental and computational (DFT) investigation revealed that the depolymerisation occurs via a chain-end catalysed depolymerization mechanism, and that the high selectivity arises from the Mg-alkoxide catalysed epoxide extrusion being kinetically favourable compared to cyclic carbonate formation. To read the full article visit https://doi.org/10.1002/anie.202201785

Impact
Number of publications figure
 Total number of publications: 677
 Average impact:
Citations – 21,439
Citation per article – 3.2
global presence figure

For more information on the impact of UK Catalysis Hub publications visit the Catalysis Data Infrastructure (CDI) at  cdi.ukcatalysishub.co.uk. The CDI indexes publications and data objects produced by researchers supported-by or affiliated-to the UK Catalysis Hub. 

Phase II Research

Click on the links below to view publications by research theme

Core, Optimising, Predicting and Designing New Catalysts, Catalysis for the Circular Economy and Sustainable Manufacturing, Catalysis at the Water and Energy Nexus, Non-Project Publications

Research 2013 – 2019

Biocatalysis, Design, Energy, Environment, Transformations, Non-Project Publications
Core
2023

Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie, Mitchell, Chris, Modern Developments in Catalysis, Vol II, 2023, World Scientific, DOI: https://doi.org/10.1142/q0354

Lawes, Naomi, Aggett, Kieran J., Smith, Louise R., Slater, Thomas J. A., Dearg, Malcolm, Morgan, David J., Dummer, Nicholas F., Taylor, Stuart H., Hutchings, Graham J., Bowker, Michael, Zn Loading Effects on the Selectivity of PdZn Catalysts for CO2 Hydrogenation to Methanol, Catal Lett (2023). DOI: https://doi.org/10.1007/s10562-023-04437-5

Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Jones, Wilm, Hewes, Daniel, Bowker, Michael, Delaminated hydrotalcite precursors for green methanol synthesis, Catalysis Communications, Volume 179, 2023, 106694, DOI: https://doi.org/10.1016/j.catcom.2023.106694.

Deeks, Helen M., Zinovjev, Kirill, Barnoud, Jonathan, Mulholland, Adrian J., van der Kamp, Marc W., Glowacki, David R., Free energy along drug-protein binding pathways interactively sampled in virtual reality, Sci Rep 13, 16665 (2023). DOI: https://doi.org/10.1038/s41598-023-43523-x

Lazaridou, Anna, Smith, Louise R., Pattisson, Samuel, Dummer, Nicholas F., Smit, Joost J., Johnston, Peter, Hutchings, Graham J., Recognizing the best catalyst for a reaction, Nat Rev Chem 7, 287–295 (2023).DOI: https://doi.org/10.1038/s41570-023-00470-5

2022

Abraham Nieva de la Hidalga, Josephine Goodall, Corinne Anyika, Brian Matthews, C. Richard A. Catlow,
Designing a data infrastructure for catalysis science aligned to FAIR data principles, Catalysis Communications, Volume 162, 2022, 106384, ISSN 1566-7367, DOI: https://doi.org/10.1016/j.catcom.2021.106384.

R. Arrigo, T. Sasaki, J. Callison, D. Gianolio, M. E. Schuster, Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy, 2022, Journal of Energy Chemistry, DOI: 10.1016/j.jechem.2021.05.005 journal-article 

A. Nieva de la Hidalga, D. Decarolis, S. Xu, S. K. Matam, W. Y. H. Enciso, J. B. M. .Goodall, B. Matthews, C. R. A. .Catlow, A Workflow Demonstrator for Processing Catalysis Research Data, 2022, Data Intelligence DOI: 10.1162/dint_a_00143 journal-article  

Sun, Shuzhuang, Sun, Hongman, Guan, Shaoliang, Xu, Shaojun, Wu, Chunfei, Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support, Fuel, Volume 317, 2022, 123420, DOI: https://doi.org/10.1016/j.fuel.2022.123420.

Paul, Ratul, Sarkar, Chitra, Jain, Manjari, Xu, Shaojun, Borah, Kashmiri, Dao, Duy Quang, Pao, Chih-Wen, Bhattacharya, Saswata, Mondal, John, Ferrocene-derived Fe-metalated porous organic polymer for the core planarity-triggered detoxification of chemical warfare agents, Chem. Commun., 2022, Advance Article, DOI: https://doi.org/10.1039/D2CC01785G

Sun, Shuzhuang, Zhang, Chen, Guan, Shaoliang, Xu, Shaojun, Williams, Paul T., Wu, Chunfei, Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports, Separation and Purification Technology, Volume 298, 2022, DOI: https://doi.org/10.1016/j.seppur.2022.121604

Evans, Christopher D., Bartley, Jonathan K., Taylor, Stuart H., Hutchings, Graham J., Kondrat, Simon A., Perovskite Supported Catalysts for the Selective Oxidation of Glycerol to Tartronic Acid, Catal Lett (2022). DOI: https://doi.org/10.1007/s10562-022-04111-2

Shit, Subhash Chandra, Powar, Niket S., Kalita, Priyanka, Paul, Ratul, Xu, Shaojun, Jung, Jin-Woo, Cho, Chang-Hee, In, Su-Il, Mondal, John, Selective photocatalytic CO2 reduction to CH4 over metal-free porous polyimide in the solid–gas mode, Chem. Commun., 2022, Advance Article, DOI: 10.1039/D2CC04701B 

Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun, Wu, Chunfei, CO2 capture over steam and KOH activated biochar: Effect of relative humidity, Biomass and Bioenergy, Volume 166, 2022, DOI: https://doi.org/10.1016/j.biombioe.2022.106608.

Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun, Johnston, Chris, Wu, Chunfei, Phosphorus Removal from Dirty Farmyard Water by Activated Anaerobic-Digestion-Derived Biochar, Ind. Eng. Chem. Res. 2022, DOI: https://doi.org/10.1021/acs.iecr.2c02668

Zhang, Man, Xu, Shaojun, Boubeche, Mebrouka, Decarolis, Donato, Huang, Yizhe, Liu, Biying, Gibson, Emma K., Li, Xin, Wang, Yuchen, Luo, Huixia, Catlow, C. Richard A., Yan, Kai, Designed TiS2 nanosheets for efficient electrocatalytic reductive amination of biomass-derived furfurals, Green Chem., 2022,24, 9570-9578, DOI: https://doi.org/10.1039/D2GC03234A 

Di Carmine, Graziano; Forster, Luke; Wang, Simeng; Parlett, Christopher; Carlone, Armando; D’Agostino, Carmine, NMR relaxation time measurements of solvent effects in an organocatalysed asymmetric aldol reaction over silica SBA-15 supported proline, React. Chem. Eng., 2022,7, 269-274, DOI: https://doi.org/10.1039/D1RE00471A 

Wang, Xi; Xu, Shaojun; Chalmers, Evelyn; Chen, Xiaogang; Liu, Yong; Liu, Xuqing, Entangled ZnO on Ultrathin Hollow Fibers for UV-Aided Pollutant Decomposition, ACS Appl. Mater. Interfaces 2022, 14, 8, 10769–10781, 2022, DOI: https://doi.org/10.1021/acsami.1c21554

Skukauskas, Vainius; Silverwood, Ian P.; Gibson, Emma K., Dynamics of water within Cu-loaded zeolites: A quasielastic neutron scattering study, Catalysis Communications, Volume 165, 2022, 106429, DOI:  https://doi.org/10.1016/j.catcom.2022.106429

Sarkar, Chitra, Paul, Ratul, Dao, Duy Quang, Xu, Shaojun, Chatterjee, Rupak, Shit, Subhash Chandra, Bhaumik, Asim, Mondal, John, Unlocking Molecular Secrets in a Monomer-Assembly-Promoted Zn-Metalated Catalytic Porous Organic Polymer for Light-Responsive CO2 Insertion, CS Appl. Mater. Interfaces 2022, 14, 33, 37620–37636, DOI: https://doi.org/10.1021/acsami.2c06982

2021

B. Liu, S. Xu (co-1st), M. Zhang, X. Li, D. Decarolis, Y. Liu, Y. Wang, E.K. Gibson, R. Catlow, Y. Kai, Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets, Green Chemistry, 2021, DOI: https://doi.org/10.1039/D1GC00901J

A. Cherevotan, J. Raj, L. Dheer, S. Roy, S. Sarkar, R. Das, C. P. Vinod, S. Xu, P. Wells, U. V. Waghmare and S. C. Peter, Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol, ACS Energy Letters, 2021, 6, 509, DOI: https://doi.org/10.1021/acsenergylett.0c02614

Shaojun Xu, Xue Han, Yujie Ma, Thien D. Duong, Longfei Lin, Emma K. Gibson, Alena Sheveleva, Sarayute Chansai, Alex Walton, Duc-The Ngo, Mark D. Frogley, Chiu C. Tang, Floriana Tuna, Eric J.L. McInnes, C. Richard A. Catlow, Christopher Hardacre, Sihai Yang and Martin Schroder, Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma, Cell Reports Physical Science (2021), DOI: https://doi.org/10.1016/j.xcrp.2021.100349

Lin, Longfei; Fan, Mengtian; Sheveleva, Alena M.; Han, Xue; Tang, Zhimou; Carter, Joseph H.; da Silva, Ivan; Parlett, Christopher M. A.; Tuna, Floriana; McInnes, Eric J. L.; Sastre, German; Rudić, Svemir; Cavaye, Hamish; Parker, Stewart F.; Cheng, Yongqiang; Daemen, Luke L.; Ramirez-Cuesta, Anibal J.; Attfield, Martin P.; Liu, Yueming; Tang, Chiu C.; Han, Buxing; Yang, Sihai, Control of zeolite microenvironment for propene synthesis from methanol, Nature Communications volume 12, Article number: 822 (2021), DOI: 10.1038/s41467-021-21062-1

Inns, Donald R.; Mayer, Alexander J.; Skukauskas, Vainius; Davies, Thomas E.; Callison, June; Kondrat, Simon A., Evaluating the Activity and Stability of Perovskite LaMO3-Based Pt Catalysts in the Aqueous Phase Reforming of Glycerol Top Catal (2021)., DOI: https://doi.org/10.1007/s11244-021-01449-6

Panchal, Monik; Callison, June; Skukauskas, Vainius; Gianolio, Diego; Cibin, Giannantonio; York, Andrew P.E.; Schuster, Manfred Erwin; Hyde, Timothy I; Collier, Paul; Catlow, C R A; Gibson, Emma Kate, Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity J. Phys.: Condens. Matter 33 284001 (2021)., DOI: 10.1088/1361-648x/abfe16;

Tariq, Anisa; Ruiz Esquius, Jonathan; Davies, Thomas E.; Bowker, Michael; Taylor, Stuart H.; Hutchings, Graham J., Combination of Cu/ZnO Methanol Synthesis Catalysts and ZSM-5 Zeolites to Produce Oxygenates from CO2and H2,  Top Catal(2021), DOI: https://doi.org/10.1007/s11244-021-01447-8

Hutchings, Graham J., Spiers Memorial Lecture: Understanding reaction mechanisms in heterogeneously catalysed reactions,  Faraday Discuss., 2021,229, 9-34, DOI: https://doi.org/10.1039/D1FD00023C

Matam, S.K., Catlow, C.R.A., Silverwood, I.P. et al. Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study. Top Catal (2021)., DOI: https://doi.org/10.1007/s11244-021-01450-z

A. Vamvakeros, D. Matras, T. E. Ashton, A. A. Coelho, H. Dong, D. Bauer, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. -C. Dippel, M. von Zimmerman, J. A. Darr, S. D. M. .Jacques, A. M. Beale(2021). Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries, Small Methods, vol. 5, issue 9, page 9. DOI: 10.1002/smtd.202100512.

A. Zachariou, A. P. Hawkins, Suwardiyanto(2021). New Spectroscopic Insight into the Deactivation of a ZSM-5 Methanol-to-Hydrocarbons Catalyst, ChemCatChem, vol. 13, issue 11, page 11. DOI: 10.1002/cctc.202100286.

Chen, Huanhao, Chansai, Sarayute, Xu, Shaojun, Xu, Shanshan, Mu, Yibing, Hardacre, Christopher, Fan, Xiaolei, Dry reforming of methane on bimetallic Pt–Ni@CeO2 catalyst: a in situ DRIFTS-MS mechanistic study, Catal. Sci. Technol., 2021,11, 5260-5272, DOI: https://doi.org/10.1039/D1CY00382H

McMillan, Paul F; Wilding, Martin C; Catlow, C Richard A; Bras, Wim, Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics, J Phys Condens Matter. 2021 Jul 23;33(39). DOI: 10.1088/1361-648X/ac1301. PMID: 34309584.

Nyathi, Thulani M.; Fadlalla, Mohamed I.; Fischer, Nico; York, Andrew P.E.; Olivier, Ezra J.; Gibson, Emma K.; Wells, Peter P.; Claeys, Michael, Support and gas environment effects on the preferential oxidation of carbon monoxide over Co3O4 catalysts studied in situ, Applied Catalysis B: Environmental, Volume 297, 2021, 120450, DOI: https://doi.org/10.1016/j.apcatb.2021.120450

Ma, Yujie, Han, Xue, Xu, Shaojun, Wang, Zi, Li, Weiyao, da Silva, Ivan, Chansai, Sarayute, Lee, Daniel, Zou, Yichao, Nikiel, Marek, Manuel, Pascal, Sheveleva, Alena M., Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudić, Svemir, Ramirez-Cuesta, Anibal J., Haigh, Sarah J., Hardacre, Christopher, Schröder, Martin, Yang, Sihai, Atomically Dispersed Copper Sites in a Metal–Organic Framework for Reduction of Nitrogen Dioxide, J. Am. Chem. Soc. 2021, 143, 29, 10977–10985, DOI: https://doi.org/10.1021/jacs.1c03036

2020

Ho, Phuoc Hoang; de Luna, Giancosimo Sanghez; Angelucci, Saverio; Canciani, Andrea; Jones, Wilm; Decarolis, Donato; Ospitali, Francesca; Aguado, Elena Rodriguez; RodrĂ­guez-CastellĂłn Enrique; Fornasari, Giuseppe; Vaccari, Angelo; Beale, Andrew M.; Benito, Patricia, Understanding structure-activity relationships in highly active La promoted Ni catalysts for CO2 methanation, Applied Catalysis B: Environmental, Volume 278, 5 December 2020, 119256. DOI: https://doi.org/10.1016/j.apcatb.2020.119256

Alexander J. O’Malley, Victoria GarcĂ­a Sakai, Nikolaos Dimitratos, Wilm Jones, C. Richard A. Catlow and Stewart F. Parker, Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study, Phil. Trans. R. Soc. A., 24 July 2020, Volume 378, Issue 2176 DOI: https://doi.org/10.1098/rsta.2020.0063

Huang, He; Hwang, Gi Byoung; Wu, Gaowei; Karu, Kersti; Du Toit, Hendrik; Wu, Han; Callison, June; Parkin, Ivan P.; Gavriilidis, Asterios, Rapid synthesis of [Au25(Cys)18] nanoclusters via carbon monoxide in microfluidic liquid-liquid segmented flow system and their antimicrobial performance, Chemical Engineering Journal, Volume 383, 1 March 2020, 123176. DOI: https://doi.org/10.1016/j.cej.2019.123176

Vamvakeros, Antonis; Matras, Dorota; Jacques, Simon D.M.; di Michiel, Marco; Middelkoop, Vesna; Cong, Peixi; Price, Stephen W.T.; Bull, Craig L.; Senecal, Pierre; Beale, Andrew M., Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane, Catalysis Today,2020 DOI: https://doi.org/10.1016/j.cattod.2020.05.045

Potter, Matthew E.; Ross, Cameron P.; Gianolio, Diego; Rios, Ramon; Raja, Robert, Cobalt-containing zeolitic imidazole frameworks for C–H activation using visible-light redox photocatalysis, Catal. Sci. Technol., 2020, 10, 7262-7269. DOI: 10.1039/D0CY01061H

Kang, Liqun; Wang, Bolun; Bing, Qiming; Zalibera, Michal; BĂŒchel, Robert; Xu, Ruoyu; Wang, Qiming; Liu, Yiyun; Gianolio, Diego; Tang, Chiu C.; Gibson, Emma K.; Danaie, Mohsen; Allen, Christopher; Wu, Ke; Marlow, Sushila; Sun, Ling-dong; He, Qian; Guan, Shaoliang; Savitsky, Anton; Velasco-VĂ©lez, Juan J.; Callison, June; Kay, Christopher W. M.; Pratsinis, Sotiris E.; Lubitz, Wolfgang; Liu, Jing-yao; Wang, Feng Ryan, Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria, Nature Communications volume 11, Article number: 4008 (2020). DOI: 10.1038/s41467-020-17852-8

Santhosh K. Matam, Stefan A. F. Nastase, Andrew J. Logsdail and C. Richard. A Catlow, Methanol loading dependent methoxylation in zeolite H-ZSM-5, Chem. Sci., 2020, Advance Article. DOI: https://doi.org/10.1039/D0SC01924K

Bingqiao Xie, Roong Jien Wong, Tze Hao Tan, Michael Higham, Emma K. Gibson, Donato Decarolis, June Callison, Kondo-Francois Aguey-Zinsou, Michael Bowker, C. Richard A. Catlow, Jason Scott and Rose Amal, Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina, Nat Commun 11, 1615 (2020). https://doi.org/10.1038/s41467-020-15445-z, DOI: https://doi.org/10.1021/acsomega.9b03351

Andrea Zachariou, Alexander P. Hawkins, Paul Collier, Russell F. Howe, David Lennon, Stewart F. Parker, The Methyl Torsion in Unsaturated Compounds, ACS Omega 2020, 5, 6, 2755-2765, February 2020, DOI: https://doi.org/10.1021/acsomega.9b03351

Christopher Hardacre, Andrew M. Beale, Emma K. Gibson, Josephine B. M. Goodall, Alex Goguet, Simon A. Kondrat, Grazia Malta, Cristina Stere, Peter P. Wells, Graham J. Hutchings & C. Richard A. Catlow, Synchrotron Radiation and Catalytic Science, Synchrotron Radiation News, Technical Report, 33:1, 10-14, DOI: DOI: 10.1080/08940886.2020.1701368

Heenan, Thomas M. M.; Vamvakeros, Antonis; Tan, Chun; Finegan, Donal P.; Daemi, Sohrab R.; Jacques, Simon D. M.; Beale, Andrew M.; Di Michiel, Marco; Brett, Dan J. L.; Shearing, Paul R., The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode, Crystals 2020, 10(10), 941, DOI: https://doi.org/10.3390/cryst10100941

M. Sankar, Q. He, R. V. Engel, M. A. Sainna, A. J. Logsdail, A. Roldan, D. J. Willock, N. Agarwal, C. J. Kiely, G. J. Hutchings(2020). Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts, Chemical Reviews, vol. 120, issue 8, page 8. DOI: 10.1021/acs.chemrev.9b00662.

A. Vamvakeros, A. A. Coelho, D. Matras, H. Dong, Y. Odarchenko, S. W. T. .Price, K. T. Butler, O. Gutowski, A. -C. Dippel, M. Zimmermann, I. Martens, J. Drnec, A. M. Beale, S. D. M. .Jacques(2020). DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data, Journal of Applied Crystallography, vol. 53, issue 6, page 6. DOI: 10.1107/s1600576720013576.

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Optimising, Predicting and Designing New Catalysts
2023

Abdul Nasir, Jamal, Guan, Jingcheng, Keal, Thomas W., Desmoutier, Alec W., Lu, You, Beale, Andrew M., Catlow, C. Richard A., Sokol, Alexey A., Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite, J. Am. Chem. Soc. 2023, 145, 1, 247–259, DOI: https://doi.org/10.1021/jacs.2c09823

Gyton, Matthew R., Royle, Cameron G., Beaumont, Simon K., Duckett, Simon B., Weller, Andrew S., Mechanistic Insights into Molecular Crystalline Organometallic Heterogeneous Catalysis through Parahydrogen-Based Nuclear Magnetic Resonance Studies, J. Am. Chem. Soc. 2023, 145, 4, 2619–2629, DOI: https://doi.org/10.1021/jacs.2c12642

Bartoletti, Andrea, Gondolini, Angela, Sangiorgi, Nicola, Aramini, Matteo, Ardit, Matteo, Rancan, Marzio, Armelao, Lidia, Kondrat, Simon A., Sanson, Alessandra, Identification of structural changes in CaCu3Ti4O12 on high energy ball milling and their effect on photocatalytic performance, Catal. Sci. Technol., 2023, Advance Article. DOI: https://doi.org/10.1039/D2CY01299E

Zachariou, Andrea, Hawkins, Alexander P., Collier, Paul, Howe, Russell F., Parker, Stewart F., Lennon, David, Neutron scattering studies of the methanol-to-hydrocarbons reaction, Catal. Sci. Technol., 2023,13, 1976-1990, DOI: https://doi.org/10.1039/D2CY02154D 

Higham, Michael D., Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Catlow, C. Richard A.,Mechanism of ammonia synthesis on Fe3Mo3N, Faraday Discuss., 2023, Advance Article, DOI: https://doi.org/10.1039/D2FD00148A

Garvin, Matthew, Thompson, Warren A., Tan, Jeannie Z. Y., Kampouri, Stavroula, Ireland, Christopher P., Smit, Berend, Brookfield, Adam, Collison, David, Negahdar, Leila, Beale, Andrew M., Maroto-Valer, M. Mercedes, McIntosh, Ruaraidh D., Garcia, Susana, Highly selective CO2 photoreduction to CO on MOF-derived TiO2, RSC Sustain., 2023, Advance Article, DOI: https://doi.org/10.1039/D2SU00082B

Gianolio, Diego, Higham, Michael D., Quesne, Matthew G., Aramini, Matteo, Xu, Ruoyu, Large, Alex I., Held, Georg, Velasco-VĂ©lez, Juan-JesĂșs,  Haevecker, Michael, Knop-Gericke, Axel, Genovese, Chiara, Ampelli, Claudio, Schuster, Manfred Erwin, Perathoner, Siglinda, Centi, Gabriele, Catlow, C. Richard A., Arrigo, Rosa, Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO2 over C-Supported Cu-Based Systems, ACS Catal. 2023, 13, XXX, 5876–5895, DOI: https://doi.org/10.1021/acscatal.3c01288

Schiaroli, Nicola, Negahdar, Leila, LĂŒtzen, Mads, Hoang Ho, Phuoc, Allen, Lisa J., Natoli, Alejandro, Ospitali, Francesca, Maluta, Francesco, RodrĂ­guez-CastellĂłn, Enrique, Damsgaard, Christian D., Fornasari, Giuseppe, Beale, Andrew M., Benito, Patricia, Efficient low-loaded ternary Pd-In2O3-Al2O3catalysts for methanol production, Journal of Catalysis, Volume 424, 2023, Pages 140-151, ISSN 0021-9517, DOI: https://doi.org/10.1016/j.jcat.2023.05.012

Dong, Hongyang, Jacques, Simon D. M., Kockelmann, Winfried, Price, Stephen W. T., Emberson, Robert, Matras, Dorota, Odarchenko, Yaroslav, Middelkoop, Vesna, Giokaris, Athanasios, Gutowski, Olof, Dippel, Ann-Christin, von Zimmermann, Martin, Beale, Andrew M., Butler, Keith T., Vamvakeros, Antonis, A scalable neural network architecture for self-supervised tomographic image reconstruction, Digital Discovery, 2023, Advance Article, DOI: https://doi.org/10.1039/D2DD00105E

Matam, Santhosh K., Silverwood, Ian P., Boudjema, Lotfi, O’Malley, Alexander J., Catlow, C. Richard A., Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations, Phil. Trans. R. Soc. A.3812022033520220335, DOI: http://doi.org/10.1098/rsta.2022.0335

Costley-Wood, Lucy G, Mohammed, Khaled, Carravetta, Marina, Decarolis, Donato, Goguet, Alexandre, Kordatos, Apostolos, Vakili, Reza, Manyar, Haresh, McPake, Erin, Skylaris, Chris-Kriton, Thompson, Paul, Gibson, Emma K, Wells, Peter P., Towards the Operational Window for Nitridic and Carbidic Palladium Nanoparticles for Directed Catalysis, ChemCatChem 2023, e202300870. DOI: https://doi.org/10.1002/cctc.202300870

Matthew E. Potter, Sofia Mediavilla Madrigal, Emma Campbell, Lisa J. Allen, Urvashi Vyas,  Stephen Parry, AdriĂĄn GarcĂ­a-Zaragova, Luis M. MartĂ­nez-Prieto, Pascual Oña-Burgos, Mads LĂŒtzen, Christian D. Damsgaard, Enrique RodrĂ­guez-CastellĂłn, Nicola Schiaroli, Giuseppe Fornasari, Patricia Benito, Andrew M. Beale, A High Pressure Operando Spectroscopy Examination of Bimetal Interactions in ‘Metal Efficient’ Palladium/In2O3/Al2O3Catalysts for CO2 Hydrogenation, Angew. Chem. Int. Ed. 2023, 62, e202312645. DOI: https://doi.org/10.1002/anie.202312645

Radley, Emily, Davidson, John, Foster, Jake, Obexer, Richard, Bell, Elizabeth L., Green, Anthony P., Engineering Enzymes for Environmental Sustainability, Angew. Chem. Int. Ed. 2023, e202309305. DOI: https://doi.org/10.1002/anie.202309305

Di Carmine, Graziano, Leonardi, Costanza, Forster, Luke, Hu, Min, Lee, Daniel, Parlett, Christopher M. A., Bortolini, Olga, Isaacs, Mark A., Massi, Alessandro, D’Agostino, Carmine, Humin Formation on SBA-15-pr-SO3H Catalysts during the Alcoholysis of Furfuryl Alcohol to Ethyl Levulinate: Effect of Pore Size on Catalyst Stability, Transport, and Adsorption, ACS Appl. Mater. Interfaces 2023, 15, 20, 24528–24540, May 15, 2023, DOI: https://doi.org/10.1021/acsami.3c04613

2022

Mohammad Reza Abbasi, Federico Galvanin, Andrew John Blacker, Eva Sorensen, Yiping Shi, Philip  W.Dyer, Asterios Gavriilidis, Process-oriented approach towards catalyst design and optimisation, Catalysis Communications, Volume 163, March 2022, DOI: https://doi.org/10.1016/j.catcom.2021.106392

Yiping Shi, Andrew S. Weller, A. John Blacker, Philip W. Dyer, Conversion of butanol to propene in flow: A triple dehydration, isomerisation and metathesis cascade, Catalysis Communications, Volume 164, April 2022, DOI: https://doi.org/10.1016/j.catcom.2022.106421

I. B. Minova, M. BĂŒhl, S. K. Matam, C. R. A. .Catlow, M. D. Frogley, G. Cinque, P. A. Wright, R. F. Howe, Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst, 2022, Catalysis Science & Technology DOI: 10.1039/d1cy02361f journal-article

A. J. .Porter, C. H. .Botchway, B. Kwakye-Awuah, C. Hernandez-Tamargo, S. K. Matam, S. L. .McHugh, I. P. Silverwood, N. H. de Leeuw, A. J. O’Malley, Local and nanoscale methanol mobility in different H-FER catalysts, 2022, Catalysis Science & Technology DOI: 10.1039/d1cy02001c journal-article

I. Lezcano-González, P. Cong, E. Campbell, M. Panchal, M. Agote-Arán, V. Celorrio, Q. He, R. Oord, B. M. Weckhuysen, A. M. Beale, Structure‐Activity Relationships in Highly Active Platinum‐Tin MFI‐type Zeolite Catalysts for Propane Dehydrogenation, 2022, ChemCatChem DOI: 10.1002/cctc.202101828 journal-article

Bowker, Michael, Lawes, Naomi, Gow, Isla, Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Smith, Louise R., Slater, Thomas J. A., Davies, Thomas E, Dummer, Nicholas F., Kabalan, Lara, Logsdail, Andrew, Catlow, Richard C., Taylor, Stuart, Hutchings, Graham J, The Critical Role of ÎČPdZn Alloy in Pd/ZnO Catalysts for the Hydrogenation of Carbon Dioxide to Methanol, ACS Catal. 2022, 12, 9, 5371–5379, Publication Date: April 20, 2022, DOI: https://doi.org/10.1021/acscatal.2c00552

Silveri, Fabrizio, Quesne, Matthew G., Viñes, Francesc, Illas, Francesc, Catlow, C. Richard A., de Leeuw, Nora H., Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study, J. Phys. Chem. C 2022, 126, 11, 5138–5150, Publication Date:March 13, 2022, DOI: https://doi.org/10.1021/acs.jpcc.1c10180

Lawes, Naomi, Gow, Isla E., Smith, Louise R., Aggett, Kieran J., Hayward, James S., Kabalan, Lara, Logsdail, Andrew J., Slater, Thomas J. A., Dearg, Malcolm, Morgan, David J., Dummer, Nicholas F., Taylor, Stuart H., Bowker, Michael, Catlow, C. Richard A., Hutchings, Graham J., Methanol synthesis from CO2 and H2 using supported Pd alloy catalysts, Faraday Discuss., 2022, Advance Article, DOI: https://doi.org/10.1039/D2FD00119E

Jones, Edward; Inns, Donald R.; Dann, Sandra E.; Silverwood, Ian P.; Kondrat, Simon A., Characterisation of ethylene adsorption on model skeletal cobalt catalysts by inelastic and quasi-elastic neutron scattering, Catalysis Communications, Volume 163, 2022, 106409, DOI: https://doi.org/10.1016/j.catcom.2022.106409

Stacey, Edward; Quesne, Matthew G.; Catlow, C. Richard A., Computational investigation of the structures and energies of microporous materials, Microporous and Mesoporous Materials, 2022, 112382, DOI: https://doi.org/10.1016/j.micromeso.2022.112382

Qi, Guodong; Davies, Thomas E.; Nasrallah, Ali; Sainna, Mala A.; Howe, Alexander G. R.; Lewis, Richard J.; Quesne, Matthew; Catlow, C. Richard A.; Willock, David J.; He, Qian; Bethell, Donald; Howard, Mark J.; Murrer, Barry A.; Harrison, Brian; Kiely, Christopher J.; Zhao, Xingling; Deng, Feng; Xu, Jun; Hutchings, Graham J., Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2, Nat Catal 5, 45–54 (2022), DOI: https://doi.org/10.1038/s41929-021-00725-8

Mollner, Tim A., Giltrap, Andrew M., Zeng, Yibo, Demyanenko, Yana, Buchanan, Charles, Oehlrich, Daniel, Baldwin, Andrew J., Anthony, Daniel C., Mohammed, Shabaz, Davis, Benjamin G., Reductive site-selective atypical C,Z-type/N2-C2 cleavage allows C-terminal protein amidation, SCIENCE ADVANCES, 8 Apr 2022, Vol 8, Issue 14, DOI: 10.1126/sciadv.abl8675

Xu, Ruoyu, Kang, Liqun, Papanikolaou, Konstantinos G., Wang, Bolun, Marlow, Sushila, He, Qian, Zhang, Peng, Wang, Jianfang, Brett, Dan J.L., Stamatakis, Michail, Wang, Feng Ryan, Improving the ORR performance by enhancing the Pt oxidation resistance, Journal of Catalysis, Volume 416, 2022, Pages 311-321, DOI: https://doi.org/10.1016/j.jcat.2022.10.025.

2021

Decarolis, Donato; Clark, Adam H.; Pellegrinelli, Tommaso; Nachtegaal, Maarten; Lynch, Evan W.; Catlow, C. Richard A.; Gibson, Emma K.; Goguet, Alexandre; Wells, Peter P., Spatial Profiling of a Pd/Al2O3 Catalyst during Selective Ammonia Oxidation, CS Catal. 2021, 11, 4, 2141–2149 Publication Date:February 3, 2021, DOI: https://doi.org/10.1021/acscatal.0c05356

Quesne, Matthew G.; Catlow, C. Richard A.; de Leeuw, Nora H., How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study, Faraday Discuss., 2021, Advance Article, DOI: https://doi.org/10.1039/D1FD00004G

Kuan-Yu Lai, Sebastien R.G. Galan, Yibo Zeng, Tianhui Hina Zhou, Chang He, Ritu Raj, Jitka Ried, Shi Liu, K. Phin Chooi, Neha Garg, Min Zeng, Lyn H. Jones, Graham J.Hutchings, Shabaz Mohammed, Satish K. Nair, Jie Chen, Benjamin G. Davis and Wilfred A. van der Donk, LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome, Cell, April 2021, online, DOI: https://doi.org/10.1016/j.cell.2021.04.001

Mary Ortmayer, Florence J. Hardy, Matthew G. Quesne, Karl Fisher, Colin Levy, Derren J. Heyes, C. Richard A. Catlow, Sam P. de Visser, Stephen E. J. Rigby, Sam Hay, and Anthony P. Green, A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase, JACS Au, May 2021, online, DOI: https://doi.org/10.1021/jacsau.1c00145

Hawkins, Alexander P.; Zachariou, Andrea; Parker, Stewart F.; Collier, Paul; Howe, Russell F.; Lennon, David, Studies of propene conversion over H-ZSM-5 demonstrate the importance of propene as an intermediate in methanol-to-hydrocarbons chemistry, Catal. Sci. Technol., , 2021, 11, 2924-2938, online, DOI: 10.1039/D1CY00048A

Kennedy, Julia; Hayward, James; Davies, Philip R; Bowker, Michael, Hydrogen production by the photoreforming of methanol and the photocatalytic water–gas shift reaction, 2021 J. Phys. Energy 3 024007, online, DOI: https://doi.org/10.1088/2515-7655/abdd82

Ming Liu, Mariia Konstantinova, Leila Negahdar, James McGregor, The role of Zn in the sustainable one-pot synthesis of dimethyl carbonate from carbon dioxide, methanol and propylene oxide, 2021, Chemical Engineering Science, Volume 231, 116267, DOI: https://doi.org/10.1016/j.ces.2020.116267.

D. Matras, A. Vamvakeros, S. D. M. .Jacques, M. di Michiel, V. Middelkoop, I. Z. Ismagilov, E. V. Matus, V. V. Kuznetsov, R. J. Cernik, A. M. Beale(2021). Multi-length scale 5D diffraction imaging of Ni–Pd/CeO2–ZrO2/Al2O3 catalyst during partial oxidation of methane, Journal of Materials Chemistry A, vol. 9, issue 18, page 18. DOI: 10.1039/d1ta01464a.

S. K. Matam, C. R. A. .Catlow, I. P. Silverwood, A. J. O’Malley(2021). Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study, Topics in Catalysis, vol. 64, issue 9-12, page 9-12. DOI: 10.1007/s11244-021-01450-z.

A. J. Greer, S. F. . R. Taylor, H. Daly, M. G. Quesne, N. H. de Leeuw, C. R. A. .Catlow, J. Jacquemin, C. Hardacre(2021). Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid, ACS Sustainable Chemistry & Engineering, vol. 9, issue 22, page 22. DOI: 10.1021/acssuschemeng.1c01451.

A. Zachariou, A. P. Hawkins, Suwardiyanto(2021). New Spectroscopic Insight into the Deactivation of a ZSM-5 Methanol-to-Hydrocarbons Catalyst, ChemCatChem, vol. 13, issue 11, page 11. DOI: 10.1002/cctc.202100286.

Razali, Nurul, McGregor, James, Improving Product Yield in the Direct Carboxylation of Glycerol with CO2 through the Tailored Selection of Dehydrating Agents, Catalysts 2021, 11(1), 138; DOI: https://doi.org/10.3390/catal11010138

Davies, Gareth, Driver, Justin, Ward, Andrew, Negahdar, Leila, McGregor, James, Operando Studies of Aerosol-Assisted Sol–Gel Catalyst Synthesis via Combined Optical Trapping and Raman Spectroscopy, J. Phys. Chem. C 2021, 125, 41, 22591–22602, Publication Date:October 13, 2021, DOI: https://doi.org/10.1021/acs.jpcc.1c07517

Minova, Ivalina B.; Barrow, Nathan S.; Sauerwein, Andrea C.; Naden, Aaron B.; Cordes, David B.; Slawin, Alexandra M.Z.; Schuyten, Stephen J.; Wright, Paul A., Silicon redistribution, acid site loss and the formation of a core–shell texture upon steaming SAPO-34 and their impact on catalytic performance in the Methanol-to-Olefins (MTO) reaction, Journal of Catalysis, Volume 395, 2021, Pages 425-444, DOI: https://doi.org/10.1016/j.jcat.2021.01.012

2020

B. Venezia, E. Cao, S. K. Matam, C. Waldron, G. Cibin, E. K. Gibson, S. Golunski, P. P. Wells, I. Silverwood, C. R. A. Catlow, G. Sankarh and A. Gavriilidis, Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions, Catal. Sci. Technol., Oct 2020, 10, 7842-7856, DOI: https://doi.org/10.1039/D0CY01608J

Alexander J. O’Malley, Victoria GarcĂ­a Sakai, Nikolaos Dimitratos, Wilm Jones, C. Richard A. Catlow and Stewart F. Parker, Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study, Phil. Trans. R. Soc. A., 24 July 2020, Volume 378, Issue 2176 DOI: https://doi.org/10.1098/rsta.2020.0063

Michael D. Higham, Matthew G. Quesne and C. Richard A. Catlow, Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces, Dalton Trans., 2020, (Advance Article,), May 2020, DOI: https://doi.org/10.1039/D0DT00754D

Delarmelina, M., Quesne, M. G., & Catlow, C. R. A. , Modelling the bulk properties of ambient pressure polymorphs of zirconia., Physical Chemistry Chemical Physics, (2019), 2020, 22, 6660-6676., DOI: https://doi.org/10.1039/D0CP00032A

Latifi, Reza, Jennifer L. Minnick, Matthew G. Quesne, Sam P. de Visser, and Laleh Tahsini, Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways., Dalton Transactions, (2020), 49, 4266-4276. DOI: 10.1039/D0DT00007H

Alexander P. Hawkins, Andrea Zachariou, Stewart F. Parker, Paul Collier, Nathan Barrow, Ian P. Silverwood, Russell F. Howe and David Lennon, Effect of steam de-alumination on the interactions of propene with H-ZSM-5 zeolites, RSC Adv., 2020, 10, 23136-23147, DOI: 10.1039/D0RA03871G,

Leila Negahdar, Christopher M. A. Parlett, Mark A. Isaacs, Andrew M. Beale, Karen Wilson and Adam F. Le, Shining light on the solid–liquid interface: in situ/operando monitoring of surface catalysis, Catal. Sci. Technol., June 2020, DOI: 10.1039/D0CY00555J;

J. Z. Y. .Tan, S. Gavrielides, M. Belekoukia, W. A. Thompson, L. Negahdar, F. Xia, M. M. Maroto-Valer, A. M. Beale(2020). Synthesis of TiO2−x/W18O49 hollow double-shell and core–shell microspheres for CO2 photoreduction under visible light, Chemical Communications, vol. 56, issue 81, page 81. DOI: 10.1039/d0cc04036c.

R. H. Blackmore, M. E. Rivas, G. F. Tierney, K. M. H. .Mohammed, D. Decarolis, S. Hayama, F. Venturini, G. Held, R. Arrigo, M. Amboage, P. Hellier, E. Lynch, M. Amri, M. Casavola, T. Eralp Erden, P. Collier, P. P. Wells(2020). The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3, Physical Chemistry Chemical Physics, vol. 22, issue 34, page 34. DOI: 10.1039/d0cp00793e.

J. Engel, E. Schwartz, C. R. A. .Catlow, A. Roldan(2020). The influence of oxygen vacancy and Ce3+ ion positions on the properties of small gold clusters supported on CeO2−x(111), Journal of Materials Chemistry A, vol. 8, issue 31, page 31. DOI: 10.1039/d0ta01398f.

M. Higham, D. Mora-Fonz, A. A. Sokol, S. M. Woodley, C. R. A. .Catlow(2020). Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001̄) surfaces, Journal of Materials Chemistry A, vol. 8, issue 43, page 43. DOI: 10.1039/d0ta08351h.

K. Wangkawong, S. Phanichphant, B. Inceesungvorn, C. E. Stere, S. Chansai, C. Hardacre, A. Goguet(2020). Kinetics of Water Gas Shift Reaction on Au/CeZrO4: A Comparison Between Conventional Heating and Dielectric Barrier Discharge (DBD) Plasma Activation, Topics in Catalysis, vol. 63, issue 3-4, page 3-4. DOI: 10.1007/s11244-020-01245-8.

Laura Quintana Gomez, Amal K. Shehab, Ali Al-Shathr, William Ingram, Mariia Konstantinova, Denis Cumming, James McGregor, H2-free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2, ChemSusChem, Volume13, Issue3, February 7, 2020, Pages 647-658 DOI: https://doi.org/10.1002/cssc.201902340. 

Collett, Catherine, Ondƙej Maơek, Nurul Razali, and James McGregor, Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study, Catalysts 2020, 10(9), 1067; https://doi.org/10.3390/catal10091067

2019

Thulani M. Nyathi, Nico Fischer, Andrew P. E. York, David J. Morgan, Graham J. Hutchings, Emma K. Gibson, Peter P. Wells, C. Richard A. Catlow, Michael Claeys, Impact of Nanoparticle–Support Interactions in Co3O4/Al2O3 Catalysts for the Preferential Oxidation of Carbon Monoxide, ACS Catal. 2019, 9, XXX, 7166-7178, Publication Date:June 28, 2019, https://pubs.acs.org/doi/10.1021/acscatal.9b00685

Wilm Jones, Peter. P. Wells, Emma K. Gibson, Arunabhiram Chutia, Ian P. Silverwood, C. Richard A. Catlow, Michael Bowker, Carbidisation of Pd Nanoparticles by Ethene Decomposition with Methane Production, ChemCatChem., 17 June 2019, doi:10.1002/cctc.201900795

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Catalysis for the Circular Economy and Sustainable Manufacturing
2023

Leishman, C.; Mazzone, S.; Sun, Y.; Bekris, L.; Papaioannou, E.I.; Li, K.; F.R. García-García, Manganese-based catalysts supported on carbon xerogels for the selective catalytic reduction of NOx using a hollow fibre-based reactor, Catalysis Today, 2023, DOI: https://doi.org/10.1016/j.cattod.2023.01.026

Diment, Wilfred T., Rosetto, Gloria, Ezaz-Nikpay, Noura, Kerr, Ryan W. F., Williams, Charlotte K., A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations, Green Chem., 2023,25, 2262-2267, DOI: https://doi.org/10.1039/D2GC04580J

Ziarko, Aleksandra, Slater, Thomas J. A., Isaacs, Mark A., Durndell, Lee J., Parlett, Christopher M. A., Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation, Catal. Sci. Technol., 2023,13, 3483-3488, DOI: https://doi.org/10.1039/D3CY00198A 

Poon, Kam C., Gregory, Georgina L., Sulley, Gregory S., Vidal, Fernando, Williams, Charlotte K., Toughening CO2-Derived Copolymer Elastomers Through Ionomer Networking, Adv. Mater. 2023, 35, 2302825. DOI: https://doi.org/10.1002/adma.202302825

Lindeboom, Wouter, Deacy, Arron C., Phanopoulos, Andreas, Buchard, Antoine, Williams, Charlotte K., Correlating Metal Redox Potentials to Co(III)K(I) Catalyst Performances in Carbon Dioxide and Propene Oxide Ring Opening Copolymerization, Angew. Chem. Int. Ed. 2023, 62, e202308378. DOI: https://doi.org/10.1002/anie.202308378

McGuire, Thomas M., Buchard, Antoine, Williams, Charlotte, Chemical Recycling of Commercial Poly(l-lactic acid) to l-Lactide Using a High-Performance Sn(II)/Alcohol Catalyst System, J. Am. Chem. Soc. 2023, 145, 36, 19840–19848, DOI: https://doi.org/10.1021/jacs.3c05863

Fiorentini, Francesca, Diment, Wilfred T., Deacy, Arron C., Kerr, Ryan W. F., Faulkner, Stephen, Williams, Charlotte K., Understanding catalytic synergy in dinuclear polymerization catalysts for sustainable polymers, Nat Commun 14, 4783 (2023). DOI: https://doi.org/10.1038/s41467-023-40284-z

Wang, Mei, Papaioannou, Evangelos I., Metcalfe, Ian S., Naden, Aaron, Savaniu, Cristian D., Irvine, John T. S., The Exsolution of Cu Particles from Doped Barium Cerate Zirconate via Barium Cuprate Intermediate Phases, Adv. Funct. Mater.2023, 33, 2302102. DOI: https://doi.org/10.1002/adfm.202302102

Blair, Matthew N., Murray-Williams, Meadhbh, Maguire, Calum, Brown, Clare L., Cao, Qun, Chai, Hongxin, Li, Yitong, O’Hagan, RĂłisĂ­n L., Dingwall, Paul, Manesiotis, Panagiotis, Lyall, Catherine L., Lowe, John P., Hintermair, Ulrich, Knipe, Peter C., Muldoon, Mark J., Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes, Catal. Sci. Technol., 2023,13, 6224-6232, DOI: https://doi.org/10.1039/D3CY01046E

Kimber, Richard L., Elizondo, Gretta, Jedyka, Klaudia, Boothman, Christopher, Cai, Rongsheng, Bagshaw, Heath, Haigh, Sarah J., Coker, Victoria S., Lloyd, Jonathan R., Copper bioreduction and nanoparticle synthesis by an enrichment culture from a former copper mine, Environmental Microbiology, 1–12. DOI: https://doi.org/10.1111/1462-2920.16488

Qu, Jie, Elgendy, Amr, Cai, Rongsheng, Buckingham, Mark A., Papaderakis, Athanasios A., de Latour, Hugo, Hazeldine, Kerry, Whitehead, George F. S., Alam, Firoz, Smith, Charles T., Binks, David J., Walton, Alex, Skelton, Jonathan M., Dryfe, Robert A. W., Haigh, Sarah J., Lewis, David J., A Low-Temperature Synthetic Route Toward a High-Entropy 2D Hexernary Transition Metal Dichalcogenide for Hydrogen Evolution Electrocatalysis, Adv. Sci. 2023, 10, 2204488, DOI: https://doi.org/10.1002/advs.202204488

Xie, Jinxin, Coker, Victoria S., O’Driscoll, Brian, Cai, Rongsheng, Haigh, Sarah J., Lloyd, Jonathan R., Microbial Reduction of Antimony(V)-Bearing Ferrihydrite by Geobacter sulfurreducens,  Appl Environ Microbiol. 2023 Mar 29;89(3):e0217522. DOI: https://doi.org/10.1128/aem.02175-22.

Wang, Hu, Wang, Caiyun, Wang, Xiaoxia, Chen, Qian, Liu, Shuai, Cai, Rongsheng, Haigh, Sarah J., Sun, Yuanyuan, Yang, Dongjiang, Cobalt atom sites anchored on sulfhydryl decorated UiO-66 to activate peroxymonosulfate for norfloxacin degradation, Journal of Environmental Chemical Engineering, Volume 11, Issue 1, 2023, 108972, DOI: https://doi.org/10.1016/j.jece.2022.108972.

2022

M. Erans, E. S. Sanz-PĂ©rez, D. P. Hanak, Z. Clulow, D. M. Reiner, G. A. Mutch, Direct air capture: process technology, techno-economic and socio-political challenges, 2022, Energy & Environmental Science, DOI: 10.1039/d1ee03523a journal-article

N. V. Reis, A. C. Deacy, G. Rosetto, C. B. Durr, C. K. Williams, Heterodinuclear Mg(II)M(II) (M=Cr, Mn, Fe, Co, Ni, Cu and Zn) Complexes for the Ring Opening Copolymerization of Carbon Dioxide/Epoxide and Anhydride/Epoxide, 2022, Chemistry – A European Journal, DOI: 10.1002/chem.202104198 journal-article

J. Guo, R. Cai, E. Cali, G. E. Wilson, G. Kerherve, S. J. Haigh, S. J. Skinner, Low‐Temperature Exsolution of Ni–Ru Bimetallic Nanoparticles from A‐Site Deficient Double Perovskites, 2022, Small DOI: 10.1002/smll.202107020 journal-article

A. A. Tedstone, A. Bin Jumah, E. Asuquo, A. A. Garforth, Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach, 2022, Royal Society Open Science DOI: 10.1098/rsos.211353 journal-article

G. L. Gregory, C. K. Williams, Exploiting Sodium Coordination in Alternating Monomer Sequences to Toughen Degradable Block Polyester Thermoplastic Elastomers, 2022, Macromolecules DOI: 10.1021/acs.macromol.2c00068 journal-article

Kerr, Ryan W. F., Williams, Charlotte K., Zr(IV) Catalyst for the Ring-Opening Copolymerization of Anhydrides (A) with Epoxides (B), Oxetane (B), and Tetrahydrofurans (C) to Make ABB- and/or ABC-Poly(ester-alt-ethers), J. Am. Chem. Soc. 2022, 144, 15, 6882–6893, Publication Date:April 7, 2022, DOI: https://doi.org/10.1021/jacs.2c01225

Mutch, Greg A., Electrochemical separation processes for future societal challenges, Cell Reports, Physical Science, Volume 3, Issue 4, 2022, 100844, DOI: https://doi.org/10.1016/j.xcrp.2022.100844.

Di Carmine, Graziano, Pesciaioli, Fabio, Wang, Simeng, Sinibaldi, Arianna, Giorgianni, Giuliana, Parlett, Christopher M. A., Carlone, Armando, D’Agostino, Carmine, Insights into Substituent Effects of Benzaldehyde Derivatives in a Heterogeneous Organocatalyzed Aldol Reaction, Chem Cat Chem, 2022, DOI: https://doi.org/10.1002/cctc.202200405

Kamran, Muhammad, Davidson, Matthew G., de Vos, Sicco, Tsanaktsis, Vasilios, Yeniad, Bahar, Synthesis and characterisation of polyamides based on 2,5-furandicarboxylic acid as a sustainable building block for engineering plastics, Polym. Chem., 2022,13, 3433-3443, DOI: https://doi.org/10.1039/D2PY00189F

Singer, Frances N., Deacy, Arron C., McGuire, Thomas M., Williams, Charlotte K., Buchard, Antoine, Chemical Recycling of Poly(Cyclohexene Carbonate) Using a Di-MgII Catalyst, Angewandte Chemie, Volume 61, Issue 26, June 27, 2022, DOI: https://doi.org/10.1002/anie.202201785

Holda, Agnieszka K., Perera, Semali, Emanuelsson Patterson, Emma A., Photocatalytic membranes containing homocoupled conjugated microporous poly(phenylene butadiynylene) for chemical-free degradation of organic micropollutants, Catalysis Communications, Volume 168, 2022, DOI: https://doi.org/10.1016/j.catcom.2022.106463

Elgendy, Amr, Papaderakis, Athanasios A., Cai, Rongsheng, Polus, Kacper, Haigh, Sarah J., Walton, Alex S., Lewis, David J., Dryfe, Robert A. W., Nanocubes of Mo6S8 Chevrel phase as active electrode material for aqueous lithium-ion batteries, Nanoscale, 2022, 14, 10125-10135, DOI: https://doi.org/10.1039/D2NR02014A

Diment, Wilfred T., Lindeboom, Wouter, Fiorentini, Francesca, Deacy, Arron C., Williams, Charlotte K., Synergic Heterodinuclear Catalysts for the Ring-Opening Copolymerization (ROCOP) of Epoxides, Carbon Dioxide, and Anhydrides, Acc. Chem. Res. 2022, 55, 15, 1997–2010, DOI: https://doi.org/10.1021/acs.accounts.2c00197

Diment, Wilfred T., Williams, Charlotte K., Chain end-group selectivity using an organometallic Al(iii)/K(i) ring-opening copolymerization catalyst delivers high molar mass, monodisperse polyesters, Chem. Sci., 2022,13, 8543-8549, DOI: https://doi.org/10.1039/D2SC02752F

Khalid, Hessan, Haq, Atta ul, Alessi, Bruno, Wu, Ji, Savaniu, Cristian D., Kousi, Kalliopi, Metcalfe, Ian S., Parker, Stephen C., Irvine, John T. S., Maguire, Paul, Papaioannou, Evangelos I., Mariotti, Davide, Rapid Plasma Exsolution from an A-site Deficient Perovskite Oxide at Room Temperature, Advanced Energy Materials, 2022, DOI: https://doi.org/10.1002/aenm.202201131

Gregory, Georgina L., Sulley, Gregory S., Kimpel, Joost, Matylda ƁagodziƄska, Lisa HĂ€fele, Leticia Peña Carrodeguas, Williams, Charlotte K., Block Poly(carbonate-ester) Ionomers as High-Performance and Recyclable Thermoplastic Elastomers, Angew. Chem. Int. Ed. 2022, e202210748; Angew. Chem. 2022, e202210748. DOI: https://doi.org/10.1002/anie.202210748

Ward-O’Brien, Brendan; McNaughter, Paul D.; Cai, Rongsheng; Chattopadhyay, Amrita; Flitcroft, Joseph M.; Smith, Charles T.; Binks, David J.; Skelton, Jonathan M.; Haigh, Sarah J.; Lewis, David J., Quantum Confined High-Entropy Lanthanide Oxysulfide Colloidal Nanocrystals, Nano Lett. 2022, 22, 20, 8045–8051, 2022, DOI: https://doi.org/10.1021/acs.nanolett.2c01596

Mokhtar, Muhamad Z.; Altujjar, Amal; Wang, Bing; Chen, Qian; Ke, Jack Chun-Ren; Cai, Rongsheng; Zibouche, Nourdine; Spencer, Ben F.; Jacobs, Janet; Thomas, Andrew G.; Hall, David; Haigh, Sarah J.; Lewis, David J.; Curry, Richard; Islam, M. Saiful; Saunders, Brian R., Spherical hydroxyapatite nanoparticle scaffolds for reduced lead release from damaged perovskite solar cells, Commun Mater 3, 77 (2022), DOI: https://doi.org/10.1038/s43246-022-00299-3

Lan, Lan, Chen, Huanhao, Lee, Daniel, Xu, Shaojun, Skillen, Nathan, Tedstone, Aleksander, Robertson, Peter, Garforth, Arthur, Daly, Helen, Hardacre, Christopher, Fan, Xiaolei, Effect of Ball-Milling Pretreatment of Cellulose on Its Photoreforming for H2 Production, CS Sustainable Chem. Eng. 2022, 10, 15, 4862–4871, DOI: https://doi.org/10.1021/acssuschemeng.1c07301

Luo, Hui, Yukuhiro, Victor Y., Fernández, Pablo S., Feng, Jingyu, Thompson, Paul, Rao, Reshma R., Cai, Rongsheng, Favero, Silvia, Haigh, Sarah J., Durrant, James R., Stephens, Ifan E. L., Titirici, Maria-Magdalena, Role of Ni in PtNi Bimetallic Electrocatalysts for Hydrogen and Value-Added Chemicals Coproduction via Glycerol Electrooxidation, ACS Catal. 2022, 12, 23, 14492–14506, November 10, 2022, DOI: https://doi.org/10.1021/acscatal.2c03907

Kamran, Muhammad, Davidson, Matthew G., Tsanaktsis, Vasilios, van Berkel, Stefan, de Vos, Sicco, Structure-property insights of semi-aromatic polyamides based on renewable furanic monomer and aliphatic diamines, European Polymer Journal, Volume 178, 2022, 111496, DOI: https://doi.org/10.1016/j.eurpolymj.2022.111496.

Charalambous, Christina, Xu, Shanshan, Ding, Shengzhe, Chansai, Sarayute, Asuquo, Edidiong, Torres Lopez, Antonio, Parlett, Christopher M. A., Gilmour, Jamie D., Garforth, Arthur, Hardacre, Christopher, Non-thermal plasma activated CO2 hydrogenation over K- and La- promoted layered-double hydroxide supported Ni catalysts, Front. Chem. Eng., November 2022, Sec. Catalytic Engineering, Volume 4, 2022, DOI: https://doi.org/10.3389/fceng.2022.1027167

2021

A. C. Deacy, G. L. Gregory, G. S. Sulley, T. T. D. .Chen, C. K. Williams(2021). Sequence Control from Mixtures: Switchable Polymerization Catalysis and Future Materials Applications, Journal of the American Chemical Society, vol. 143, issue 27, page 27. DOI: 10.1021/jacs.1c03250.

W. T. Diment, T. StĂ¶ĂŸer, R. W. F. .Kerr, A. Phanopoulos, C. B. Durr, C. K. Williams(2021). Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using Δ-decalactone, phthalic anhydride and cyclohexene oxide, Catalysis Science & Technology, vol. 11, issue 5, page 5. DOI: 10.1039/d0cy02164d.

C. K. Williams, A. Plajer(2021). Heterocycle/Heteroallene Ring Opening Copolymerisation: Selective Catalysis Delivering Alternating Copolymers, Angewandte Chemie International Edition, DOI: 10.1002/anie.202104495.

A. Plajer, C. K. Williams(2021). Heterotrimetallic Carbon Dioxide Copolymerization and Switchable Catalysts: Sodium is the Key to High Activity and Unusual Selectivity, Angewandte Chemie International Edition, vol. 60, issue 24, page 24. DOI: 10.1002/anie.202101180.

W. Lindeboom, D. A. X. .Fraser, C. B. Durr, C. K. Williams(2021). Heterodinuclear Zn(II), Mg(II) or Co(III) with Na(I) Catalysts for Carbon Dioxide and Cyclohexene Oxide Ring Opening Copolymerizations, Chemistry – A European Journal, vol. 27, issue 47, page 47. DOI: 10.1002/chem.202101140.

N. Yuntawattana, G. L. Gregory, L. P. ñA. Carrodeguas, C. K. Williams(2021). Switchable Polymerization Catalysis Using a Tin(II) Catalyst and Commercial Monomers to Toughen Poly(l-lactide), ACS Macro Letters, vol. 10, issue 7, page 7. DOI: 10.1021/acsmacrolett.1c00216.

Hindson, Sarah A., Bunzel, H. Adrian, Frank, Bettina, Svistunenko, Dimitri A., Williams, Christopher, van der Kamp, Marc W., Mulholland, Adrian J., Pudney, Christopher R., Anderson, J. L. Ross, Rigidifying a De Novo Enzyme Increases Activity and Induces a Negative Activation Heat Capacity, ACS Catal. 2021, 11, 18, 11532–11541, Publication Date:September 1, 2021, DOI: https://doi.org/10.1021/acscatal.1c01776

Peñafiel, Itziar; Dryfe, Robert A. W.; Turner, Nicholas J.; Greaney, Michael F., Integrated Electro-Biocatalysis for Amine Alkylation with Alcohols, ChemCatChem 2021, 13, 864. DOI: https://doi.org/10.1002/cctc.202001757

Bin Jumah, Abdulrahman; Malekshahian, Maryam; Tedstone, Aleksander A.; Garforth, Arthur A., Kinetic Modeling of Hydrocracking of Low-Density Polyethylene in a Batch Reactor, ACS Sustainable Chem. Eng. 2021, 9, 49, 16757–16769, 2021, DOI: https://doi.org/10.1021/acssuschemeng.1c06231

Avanthay, MickaĂ«l, Bedford, Robin B., Begg, Callum S., Böse, Dietrich, Clayden, Jonathan, Davis, Sean A., Eloi, Jean-Charles, Goryunov, Georgy P., Hartung, Ingo V., Heeley, Joseph, Khaikin, Kirill A., Kitching, Matthew O., Krieger, Johannes, Kulyabin, Pavel S., Lennox, Alastair J. J., Nolla-Saltiel, Roberto, Pridmore, Natalie E., Rowsell, Benjamin J. S., Sparkes, Hazel A., Uborsky, Dmitry V., Voskoboynikov, Alexander Z., Walsh, Mark P., Wilkinson, Harry J., Identifying palladium culprits in amine catalysis, Nat Catal 4, 994–998 (2021). DOI: https://doi.org/10.1038/s41929-021-00710-1

Jumah, Abdulrahman bin, Tedstone, Aleksander A., Garforth, Arthur A., Hydrocracking of virgin and post-consumer polymers, Microporous and Mesoporous Materials, Volume, 2021, 315,
DOI: https://doi.org/10.1016/j.micromeso.2021.110912

2020

C. Richard Catlow, Matthew Davidson, Graham J. Hutchings and Adrian Mulholland, Science to enable the circular economy, Phil. Trans. R. Soc. A., DOI: 37820200060

A. J. O’Malley, V. García-Sakai, N. Dimitratos, W. Jones, C. R. A. .Catlow, S. F. Parker(2020). Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, vol. 378, issue 2176, page 2176. DOI: 10.1098/rsta.2020.0063.

L. P. ñA. Carrodeguas, T. T. D. .Chen, G. L. Gregory, G. S. Sulley, C. K. Williams(2020). High elasticity, chemically recyclable, thermoplastics from bio-based monomers: carbon dioxide, limonene oxide and Δ-decalactone, Green Chemistry, vol. 22, issue 23, page 23. DOI: 10.1039/d0gc02295k.

A. C. Deacy, E. Moreby, A. Phanopoulos, C. K. Williams(2020). Co(III)/Alkali-Metal(I) Heterodinuclear Catalysts for the Ring-Opening Copolymerization of CO2 and Propylene Oxide, Journal of the American Chemical Society, vol. 142, issue 45, page 45. DOI: 10.1021/jacs.0c07980.

N. Yuntawattana, T. M. McGuire, C. B. Durr, A. Buchard, C. K. Williams(2020). Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations, Catalysis Science & Technology, vol. 10, issue 21, page 21. DOI: 10.1039/d0cy01484b.

2019

Abdulrahman Bin Jumah, Vanithasri Anbumuthu, Aleksander A. Tedstone, Arthur A. Garforth, Catalyzing the Hydrocracking of Low Density Polyethylene, Ind. Eng. Chem. Res. 2019, DOI: 10.1021/acs.iecr.9b04263

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Catalysis at the Water and Energy Nexus
2023

Delarmelina, Maicon, Dlamini, Mbongiseni W., Pattisson, Samuel, Davies, Philip R., Hutchings, Graham J., Catlow, C. Richard A., The effect of dissolved chlorides on the photocatalytic degradation properties of titania in wastewater treatment, Phys. Chem. Chem. Phys., 2023,25, 4161-4176. DOI: https://doi.org/10.1039/D2CP03140J 

Alofi, Saleh; O’Rourke, Christopher; Mills, Andrew, Photocatalytic destruction of stearic acid by TiO2 films: Evidence of highly efficient transport of photogenerated electrons and holes, Journal of Photochemistry and Photobiology A: Chemistry, Volume 435, 2023, 114273, DOI: https://doi.org/10.1016/j.jphotochem.2022.114273.

Sun, Shuzhuang, Zhang, Chen, Chen, Sining, Zhao, Xiaotong, Wang, Yuanyuan, Xu, Shaojun, Wu, Chunfei, Integrated CO2 capture and reverse water–gas shift reaction over CeO2-CaO dual functional materials, R. Soc. open sci.10230067230067, DOI: http://doi.org/10.1098/rsos.230067

Hasan T. Imam, Kyle Hill, Andrew Reid, Stefan Mix, Patricia C. Marr, Andrew C. Marr, Supramolecular Ionic Liquid Gels for Enzyme Entrapment, ACS Sustainable Chem. Eng. 2023, 11, 18, 6829–6837, DOI: https://doi.org/10.1021/acssuschemeng.3c00517

Cowie, Bradley E., HÀfele, Lisa, Phanopoulos, Andreas, Said, Said A., Lee, Ja Kyung, Regoutz, Anna, Shaffer, Milo S. P., Williams, Charlotte K.,  Matched Ligands for Small, Stable Colloidal Nanoparticles of Copper, Cuprous Oxide and Cuprous Sulfide,Chem. Eur. J. 2023, 29, e202300228, DOI: https://doi.org/10.1002/chem.202300228

Pandit, Krutarth, Jeffrey, Callum, Keogh, John, Tiwari, Manishkumar S., Artioli, Nancy, Manyar, Haresh G., Techno-Economic Assessment and Sensitivity Analysis of Glycerol Valorization to Biofuel Additives via Esterification, Ind. Eng. Chem. Res. 2023, 62, 23, 9201–9210, May 31, 2023 DOI: https://doi.org/10.1021/acs.iecr.3c00964

Alofi, Saleh, O’Rourke, Christopher, Mills, Andrew, Study and Modeling of the Kinetics of the Photocatalytic Destruction of Stearic Acid Islands on TiO2 Films, J. Phys. Chem. C 2023, 127, 25, 12194–12205, June 20, 2023, DOI: https://doi.org/10.1021/acs.jpcc.3c00952

Lan, Lan, Daly, Helen, Sung, Rehana, Tuna, Floriana, Skillen, Nathan, Robertson, Peter K. J., Hardacre, Christopher, Fan, Xiaolei, Mechanistic Study of Glucose Photoreforming over TiO2-Based Catalysts for H2 Production, CS Catal. 2023, 13, 13, 8574–8587, DOI: https://doi.org/10.1021/acscatal.3c00858

Ma, Yujie, Han, Xue, Xu, Shaojun, Li, Zhe, Lu, Wanpeng, An, Bing, Lee, Daniel, Chansai, Sarayute, Sheveleva, Alena M., Wang, Zi, Chen, Yinlin, Li, Jiangnan, Li, Weiyao, Cai, Rongsheng, da Silva, Ivan, Cheng, Yongqiang, Daemen, Luke L., Tuna, Floriana, McInnes, Eric J. L., Hughes, Lewis, Manuel, Pascal, Ramirez-Cuesta, Anibal J., Haigh, Sarah J., Hardacre, Christopher, Schröder, Martin, Yang, Sihai, Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework, J. Am. Chem. Soc. 2023, 145, 38, 20792–20800, September 18, 2023, DOI: https://doi.org/10.1021/jacs.3c03935

Qu, Liu, Papaioannou, Evangelos I., Study of CO2 permeation in Zn2+-modified Al2O3-carbonate membrane, J Am Ceram Soc. 2023; 106: 6244–6254. DOI: https://doi.org/10.1111/jace.19216

2022

Maicon Delarmelina, JosĂ© Walkimar de M. Carneiro, C. Richard A. Catlow, Michael BĂŒhl, Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds, Catalysis Communications, Volume 162, 2022, 106385, ISSN 1566-7367, DOI: https://doi.org/10.1016/j.catcom.2021.106385.

J. W. H. .Burnett, J. Li, A. J. McCue, P. N. Kechagiopoulos, R. F. Howe, X. Wang, Directing the H2-driven selective regeneration of NADH via Sn-doped Pt/SiO2, 2022, Green Chemistry, DOI: 10.1021/acs.jpcc.1c06920 journal-article

J. Ethiraj, D. Wagh, H. G. Manyar, Advances in Upgrading Biomass to Biofuels and Oxygenated Fuel Additives Using Metal Oxide Catalysts, 2022, Energy & Fuels, DOI: 10.1021/acs.energyfuels.1c03346 journal-article

M. Delarmelina, C. R. A. .Catlow, Cation-doping strategies for tuning of zirconia acid–base properties, 2022, Royal Society Open Science DOI: 10.1098/rsos.211423 journal-article

X. Ou, H. Daly, S. Chansai, S. K. Beaumont, X. Fan, C. Hardacre, Effect of concentrated NaCl on catalytic wet oxidation (CWO) of short chain carboxylic acids, 2022, Catalysis Communications DOI: 10.1016/j.catcom.2021.106395 journal-article

Burnett, Joseph W.H., Chen, Hui, Li, Jianwei, Li, Ying, Huang, Shouying, Shi, Jiafu, McCue, Alan J., Howe, Russell F., Minteer, Shelley D., Wang, Xiaodong, Supported Pt Enabled Proton-Driven NAD(P)+ Regeneration for Biocatalytic Oxidation, CS Appl. Mater. Interfaces 2022, 14, 18, 20943–20952, DOI: https://doi.org/10.1021/acsami.2c01743

Skillen, Nathan, Daly, Helen, Lan, Lan, Aljohani, Meshal, Murnaghan, Christopher W. J., Fan, Xiaolei, Hardacre, Christopher, Sheldrake, Gary N., Robertson, Peter K. J., Photocatalytic Reforming of Biomass: What Role Will the Technology Play in Future Energy Systems, Top Curr Chem (Z) 380, 33 (2022). DOI: https://doi.org/10.1007/s41061-022-00391-9

Ou, Xiaoxia, Daly, Helen, Fan, Xiaolei, Beaumont, Simon, Chansai, Sarayute, Garforth, Arthur, Xu, Shanshan, Hardacre, Christopher, High-Ionic-Strength Wastewater Treatment via Catalytic Wet Oxidation over a MnCeOxCatalyst, ACS Catal. 2022, 12, 13, 7598–7608, DOI: https://doi.org/10.1021/acscatal.2c01952

Xu, Shanshan, Slater, Thomas J.A., Huang, Hong, Zhou, Yangtao, Jiao, Yilai, Parlett, Christopher M.A., Guan, Shaoliang, Chansai, Sarayute, Xu, Shaojun, Wang, Xinrui, Hardacre, Christopher, Fan, Xiaolei, Developing silicalite-1 encapsulated Ni nanoparticles as sintering-/coking-resistant catalysts for dry reforming of methane, Chemical Engineering Journal, Volume 446, Part 5, 2022, DOI: https://doi.org/10.1016/j.cej.2022.137439

King, Laurie A., Regmi, Yagya N., Precious-metal-free catalyst could afford cost-effective green hydrogen, Chem, Volume 8, Issue 6, 2022, Pages 1539-1540, DOI: https://doi.org/10.1016/j.chempr.2022.05.012Mazumdar Nayan J.

Mazumdar, Nayan J., Deshmukh, Gunjan, Rovea, Anna, Kumar, Praveen, Arredondo-Arechavala, Miryam, Manyar, Haresh, Insights into selective hydrogenation of levulinic acid using copper on manganese oxide octahedral molecular sieves, R. Soc. open sci., 9, 220078, 220078, DOI: https://doi.org/10.1098/rsos.220078

Alofi, S., O’Rourke, C. & Mills, A., Kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ films revisited, Photochem Photobiol Sci (2022). DOI: https://doi.org/10.1007/s43630-022-00278-0

Keogh, John, Jeffrey, Callum, Tiwari, Manishkumar S., Manyar, Haresh, Kinetic Analysis of Glycerol Esterification Using Tin Exchanged Tungstophosphoric Acid on K-10, Ind. Eng. Chem. Res. 2022, DOI: https://doi.org/10.1021/acs.iecr.2c01930

Yadav, Ganapati D., Mewada, Rajubhai K., Wagh, Dipti P., Manyar, Haresh G., Advances and future trends in selective oxidation catalysis: a critical review, Catal. Sci. Technol., 2022, Advance Article, DOI: 10.1039/D2CY01322C

Ou, Xiaoxia, Tomatis, Marco, Payne, Billy, Daly, Helen, Chansai, Sarayute, Fan, Xiaolei, D’Agostino, Carmine, Azapagic, Adisa, Hardacre, Christopher, Fracking wastewater treatment: Catalytic performance and life cycle environmental impacts of cerium-based mixed oxide catalysts for catalytic wet oxidation of organic compounds, Science of The Total Environment, Volume 860, 2023, DOI: https://doi.org/10.1016/j.scitotenv.2022.160480.

Wang, Xiaodong, In the Lab: Heterogeneous Catalysis Mediated Interconversion between NAD(P)+ and NAD(P)H Accompanied by Consumption and Generation of Hydrogen, Johnson Matthey Technology Review, DOI: https://doi.org/10.1595/205651323X16686913816837

Hutchings, Graham J.; Davies, Philip R.; Pattisson, Samuel; Davies, Thomas E.; Morgan, David J.; Dlamini, Mbongiseni W., Facile synthesis of a porous 3D g-C3N4photocatalyst for the degradation of organics in shale gas brines, Catalysis Communications, Volume 169, 2022, 106480, DOI: https://doi.org/10.1016/j.catcom.2022.106480

John Keogh, Gunjan Deshmukh, Haresh Manyar, Green synthesis of glycerol carbonate via transesterification of glycerol using mechanochemically prepared sodium aluminate catalysts,
Fuel, Volume 310, Part C, 2022, 122484, DOI: https://doi.org/10.1016/j.fuel.2021.122484

Marr, Andrew Craig; Imam, Hasan Tanvir; Marr, Patricia Catherine, Biocatalysis in ionic liquids for a low carbon future, Chapter 11 – Biocatalysis in ionic liquids for a low carbon future, Editor(s): Pedro Lozano, In Foundations and Frontiers in Enzymology, Biocatalysis in Green Solvents, Academic Press, 2022, Pages 299-316, ISBN 9780323913065, DOI: https://doi.org/10.1016/B978-0-323-91306-5.00016-9

Johnston, James; O’Rourke, Christopher; Mills, Andrew, Photo-induced absorption spectroscopy (PIAS) study of the kinetics of water oxidation by P25 TiO2 using periodate as an electron acceptor, Applied Catalysis A: General, Volume 644, 2022, 118817, DOI: https://doi.org/10.1016/j.apcata.2022.118817

Alofi, Saleh; O’Rourke, Christopher; Mills, Andrew, Modelling the kinetics of stearic acid destruction on TiO2 ‘self-cleaning’ photocatalytic films, Applied Catalysis A: General, Volume 647, 2022, 118899, DOI: https://doi.org/10.1016/j.apcata.2022.118899

Zhou, Ruicheng; Han, Ri; Bingham, Michael; O’Rourke, Christopher; Mills, Andrew, 3D printed, plastic photocatalytic flow reactors for water purification, Photochem Photobiol Sci 21, 1585–1600 (2022), DOI:  https://doi.org/10.1007/s43630-022-00242-y

Bell, Elizabeth L., Smithson, Ross, Kilbride, Siobhan, Foster, Jake, Hardy, Florence J., Ramachandran, Saranarayanan, Tedstone, Aleksander A., Haigh, Sarah J., Garforth, Arthur A., Day, Philip J. R., Levy, Colin, Shaver, Michael P., Green, Anthony P., Directed evolution of an efficient and thermostable PET depolymerase, Nat Catal 5, 673–681 (2022). DOI: https://doi.org/10.1038/s41929-022-00821-3

2021

Xu, Shanshan; Chen, Huanhao; Hardacre, Christopher; Fan, Xiaolei, Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process, 2021, J. Phys. D: Appl. Phys. 54 233001, online, DOI: 10.1088/1361-6463/abe9e1

A. J. Greer, S. F. . R. Taylor, H. Daly, M. G. Quesne, N. H. de Leeuw, C. R. A. .Catlow, J. Jacquemin, C. Hardacre(2021). Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid, ACS Sustainable Chemistry & Engineering, vol. 9, issue 22, page 22. DOI: 10.1021/acssuschemeng.1c01451.

Hasan Tanvir Imam, Vladimír Krasƈan, Martin Rebroƥ and Andrew Craig Marr, Applications of Ionic Liquids in Whole-Cell and Isolated Enzyme Biocatalysis, Molecules 2021, 26(16), 4791; DOI: https://doi.org/10.3390/molecules26164791

Imam, Hasan T., Marr, Patricia C., Marr, Andrew C., Enzyme entrapment, biocatalyst immobilization without covalent attachment, Green Chem., 2021,23, 4980-5005

M. Delarmelina, G. Deshmukh, A. Goguet, C. R. A. .Catlow, H. G. Manyar, Role of Sulfation of Zirconia Catalysts in Vapor Phase Ketonization of Acetic Acid, 2021, The Journal of Physical Chemistry C, DOI: 10.1021/acs.jpcc.1c06920

Li, Xinyuan, Xu, Yikai, Greer, Adam J., Yue, Mingjian, Ye, Ziwei, McNeill, Aaron, Li, Chunchun, Mills, Andrew, Hu, Peijun, Hardacre, Christopher, Bell, Steven E. J., A Simple and Ligand-Free Synthesis of Light and Durable Metal-TiO2 Polymer Films with Enhanced Photocatalytic Properties, Adv. Mater. Interfaces 2021, 8, 2101241. DOI: https://doi.org/10.1002/admi.202101241

2020

Zhang, Rongxin; Chen, Huanhao; Mu, Yibing; Chansai, Sarayute; Ou, Xiaoxia; Hardacre, Christopher; Jiao, Yilai; Fan, Xiaolei, Structured Ni@NaA zeolite supported on silicon carbide foam catalysts for catalytic carbon dioxide methanation, AIChE Journal, Volume 66, Issue 11, November 2020, e17007, DOI: https://doi.org/10.1002/aic.17007

Peter McNeice, Andrew Reid, Hasan T. Imam, Carol McDonagh, Joel D. Walby, Terrence J. Collins, Andrew C. Marr, and Patricia C. Marr, Designing Materials for Aqueous Catalysis: Ionic Liquid Gel and Silica Sphere Entrapped Iron-TAML Catalysts for Oxidative Degradation of Dyes, Environ. Sci. Technol. 2020, DOI: https://doi.org/10.1021/acs.est.0c04279

T. Caswell, M.W. Dlamini, P.J. Miedziak, S. Pattisson, P.R. Davies, S.H. Taylor, G.J. Hutchings, Enhancement in the rate of nitrate degradation on Au- and Ag-decorated TiO2 photocatalysts, Catalysis Science & Technology 2020, 10, 2082–2091, DOI: https://doi.org/10.1039/C9CY02473E

K. Wangkawong, S. Phanichphant, B. Inceesungvorn, C. E. Stere, S. Chansai, C. Hardacre, A. Goguet(2020). Kinetics of Water Gas Shift Reaction on Au/CeZrO4: A Comparison Between Conventional Heating and Dielectric Barrier Discharge (DBD) Plasma Activation, Topics in Catalysis, vol. 63, issue 3-4, page 3-4. DOI: 10.1007/s11244-020-01245-8.

S. Xu, S. Chansai, S. Xu, C. E. Stere, Y. Jiao, S. Yang, C. Hardacre, X. Fan(2020). CO Poisoning of Ru Catalysts in CO2 Hydrogenation under Thermal and Plasma Conditions: A Combined Kinetic and Diffuse Reflectance Infrared Fourier Transform Spectroscopy–Mass Spectrometry Study, ACS Catalysis, vol. 10, issue 21, page 21. DOI: 10.1021/acscatal.0c03620.

X. Ou, F. Pilitsis, N. Xu, S. F. . R. Taylor, J. Warren, A. A. Garforth, J. Zhang, C. Hardacre, Y. Jiao, X. Fan(2020). On developing ferrisilicate catalysts supported on silicon carbide (SiC) foam catalysts for continuous catalytic wet peroxide oxidation (CWPO) reactions, Catalysis Today, vol. 356, page . DOI: 10.1016/j.cattod.2018.06.033.

S. Xu, S. Chansai, Y. Shao, S. Xu, Y. -C. Wang, S. J. Haigh, Y. Mu, Y. Jiao, C. E. Stere, H. Chen, X. Fan, C. Hardacre(2020). Mechanistic study of non-thermal plasma assisted CO2 hydrogenation over Ru supported on MgAl layered double hydroxide, Applied Catalysis B: Environmental, vol. 268, page . DOI: 10.1016/j.apcatb.2020.118752.

W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang(2020). Improving Photocatalytic Energy Conversion via NAD(P)H, Joule, vol. 4, issue 10, page 10. DOI: 10.1016/j.joule.2020.07.024.

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Research 2013 – 2019

Biocatalysis, Design, Energy, Environment, Transformations, Non-Project Publications
Biocatalysis
2023

Lear, Abbie, Anderson, J. L. Ross, Hilvert, Donald, Arcus, Vickery L., van der Kamp, Marc W., Bunzel, H. Adrian, Mulholland, Adrian J., Comment on: Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme, ACS Catal. 2023, 13, 15, 10527–10530, DOI: https://doi.org/10.1021/acscatal.3c01906

2022

Hirvonen, Viivi, Moshe Weizmann, Tal, Mulholland, Adrian, Spencer, James, van der Kamp, Marc, Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 ÎČ-lactamase, ACS Catal. 2022, 12, 8, 4534–4544, DOI: https://doi.org/10.1021/acscatal.1c05694.

Ma, Yujie, Lu, Wanpeng, Han, Xue, Chen, Yinlin, da Silva, Ivan, Lee, Daniel, Sheveleva, Alena M., Wang, Zi, Li, Jiangnan, Li, Weiyao, Fan, Mengtian, Xu, Shaojun, Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudić, Svemir, Manuel, Pascal, Frogley, Mark D., Ramirez-Cuesta, Anibal J., Schröder, Martin, Yang, Sihai, Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites, J. Am. Chem. Soc. 2022, 144, 19, 8624–8632, DOI: https://doi.org/10.1021/jacs.2c00952

2021

Suardíaz, Reynier, Lythell, Emily, Hinchliffe, Philip, van der Kamp, Marc, Spencer, James, Fey, Natalie, Mulholland, Adrian J., Catalytic mechanism of the colistin resistance protein MCR-1, Org. Biomol. Chem., 2021,19, 3813-3819, DOI: https://doi.org/10.1039/D0OB02566F 

Bunzel, H. Adrian, Anderson, J. L. Ross, Hilvert, Donald, Arcus, Vickery L., van der Kamp, Marc W., Mulholland, Adrian J., Evolution of dynamical networks enhances catalysis in a designer enzyme, Nature Chemistry volume 13, pages 1017–1022 (2021), DOI: 10.1038/s41557-021-00763-6 

Gautom, Trishnamoni, Dheeman, Dharmendra, Levy, Colin, Butterfield, Thomas, Alvarez Gonzalez, Guadalupe, Le Roy, Philip, Caiger, Lewis, Fisher, Karl, Johannissen, Linus, Dixon, Neil, Structural basis of terephthalate recognition by solute binding protein TphC, Nat Commun 12, 6244 (2021). https://doi.org/10.1038/s41467-021-26508-0 

Yang, Zongfan, Twidale, Rebecca M., Gervasoni, Silvia, Suardíaz, Reynier, Colenso, Charlotte K., Lang, Eric J. M., Spencer, James, Mulholland, Adrian J., Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins, J. Chem. Inf. Model. 2021, 61, 11, 5658–5672, DOI: https://doi.org/10.1021/acs.jcim.1c01109  

Peñafiel, Itziar; Cosgrove, Sebastian C., Biocatalysis in Flow for Drug Discovery, In: Alcazar, J., de la Hoz, A., Díaz-Ortiz, A. (eds) Flow Chemistry in Drug Discovery. Topics in Medicinal Chemistry, vol 38. Springer, Cham, DOI: https://doi.org/10.1007/7355_2021_116

2020

Kirill Zinovjev, Marc W van der Kamp, Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible, Bioinformatics, July 2020, btaa643,DOI: https://doi.org/10.1093/bioinformatics/btaa643

Taday, Freya; Ryan, James; Argent, Stephen P.; Caprio, Vittorio; MaciĂĄ, Beatriz; O’Reilly, Elaine, Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade, Chemistry A European Journal, Volume26, Issue 17, March 23, 2020, Pages 3729-3732DOI: https://doi.org/10.1002/chem.202000067

Mary Ortmayer, Karl Fisher, Jaswir Basran, Emmanuel M. Wolde-Michael, Derren J. Heyes, Colin Levy, Sarah L. Lovelock, J. L. Ross Anderson, Emma L. Raven, Sam Hay, Stephen E. J. Rigby, Anthony P. Green, Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code, ACS Catal. 2020, 10, 4, 2735-2746, Publication Date: January 29, 2020, DOI: https://doi.org/10.1021/acscatal.9b05129

Juan Mangas-Sanchez, Mahima Sharma, Sebastian C. Cosgrove, Jeremy I. Ramsden, James R. Marshall, Thomas W. Thorpe, Ryan B. Palmer, Gideon Grogan and Nicholas J. Turner, Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases,, Chem. Sci., 2020, 11, 5052-5057, DOI: 10.1039/D0SC02253E

Viivi H. A. Hirvonen, Adrian J. Mulholland, James Spencer, and Marc W. van der Kamp, Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 ÎČ-Lactamases, ACS Catal. 2020, 10, 11, 6188–6196, DOI: https://doi.org/10.1021/acscatal.0c00596;

Valikhani, Donya, Srivastava, Prabhakar Lal, Allemann, Rudolf K., Wirth, Thomas, Immobilised Enzymes for Sesquiterpene Synthesis in Batch and Flow Systems, ChemCatChem, Volume12, Issue8, April 20, 2020, Pages 2194-2197, DOI: https://doi.org/10.1002/cctc.201902135;

Lythell, Emily, Suardíaz, Reynier, Hinchliffe, Philip, Hanpaibool, Chonnikan, Visitsatthawong, Surawit, Oliveira, A. Sofia F., Lang, Eric J. M., Surawatanawong, Panida, Lee, Vannajan Sanghiran, Rungrotmongkol, Thanyada, Fey, Natalie, Spencer, James, Mulholland, Adrian J., Resistance to the “last resort” antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes, Chem. Commun., 2020,56, 6874-6877, DOI: DOI https://doi.org/10.1039/D0CC02520H; 

Sirirak, Jitnapa, Lawan, Narin, Van der Kamp, Marc W., Harvey, Jeremy N., Mulholland, Adrian J., Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes, PeerJ Physical Chemistry 2:e8 https://doi.org/10.7717/peerj-pchem.8; 

Arcus, Vickery L, van der Kamp, Marc W, Pudney, Christopher R, Mulholland, Adrian J, Enzyme evolution and the temperature dependence of enzyme catalysis, Current Opinion in Structural Biology, Volume 65, 2020, Pages 96-101, DOI: https://doi.org/10.1016/j.sbi.2020.06.001.

Kwon, Hanna, Basran, Jaswir, Devos, Juliette M., SuardĂ­az, Reynier, van der Kamp, Marc W., Mulholland, Adrian J., Schrader, Tobias E., Ostermann, Andreas, Blakeley, Matthew P., Moody, Peter C. E., Raven, Emma L., Visualizing the protons in a metalloenzyme electron proton transfer pathway, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES, Vol. 117 | No. 12, March 24, 2020, DOI: https://doi.org/10.1002/anie.202312645

2019

Chen, Fei-Fei; Cosgrove, Sebastian C.; Birmingham, William R.; Mangas-Sanchez, Juan; Citoler, Joan; Thompson, Matthew P.; Zheng, Gao-Wei; Xu, Jian-He; Turner, Nicholas J., Enantioselective Synthesis of Chiral Vicinal Amino Alcohols Using Amine Dehydrogenases, ACS Catal. 2019, 9, 12, 11813–11818 Publication Date:November 18, 2019, https://doi.org/10.1021/acscatal.9b03889

Cairns, Ryan; Gomm, Andrew; Ryan, James; et al., Conversion of Aldoses to Valuable ω-Amino Alcohols Using Amine Transaminase Biocatalysts, ACS CATALYSIS, Feb 2019, Volume: 9, Issue: 2, Pages: 1220-1223, DOI: 10.1021/acscatal.8b04564

Tooke, Catherine L.; Hinchliffe, Philip; Lang, Pauline A.; et al., Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam, ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, Volume: 63, Issue: 10, Article Number: e00564-19, Published: OCT 2019, DOI: 10.1128/AAC.00564-19

Bunzel, H. Adrian; Kries, Hajo; Marchetti, Luca; et al., Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Volume: 141, Issue: 30 Pages: 11745-11748 Published: JUL 31 2019, DOI: 10.1021/jacs.9b02731

Ranaghan, Kara E.; Shchepanovska, Darya; Bennie, Simon J.; et al., Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Volume: 59, Issue: 5, Special Issue: SI, Pages: 2063-2078 Published: MAY 2019, DOI: 10.1021/acs.jcim.8b00940

Harry Eastman, Dr. James Ryan, Dr. Beatriz Maciá, Dr. Vittorio Caprio, Dr. Elaine O’Reilly, Alcohol Dehydrogenase-Triggered Oxa-Michael Reaction for the Asymmetric Synthesis of Disubstituted Tetrahydropyrans and Tetrahydrofurans, ChemCatChem, Volume11, Issue16, Special Issue: Women of Catalysis, August 21, 2019, Pages 3760-3762, https://doi.org/10.1002/cctc.201900658

Hasan T. Imam, Amanda G. Jarvis, Veronica Celorrio, Irshad Baig, Christopher C. R. Allen, Andrew C. Marr, Paul C. J. Kamer, Catalytic and biophysical investigation of rhodium hydroformylase, Catal. Sci. Technol., Advance Article, Oct 2019, DOI: 10.1039/C9CY01679A

Gabriel A. Ascue Avalos, Dr. Helen S. Toogood, Shirley Tait, Dr. Hanan L. Messiha, Prof. Nigel S. Scrutton, From Bugs to Bioplastics: Total (+) – Dihydrocarvide Biosynthesis by Engineered Escherichia coli, Chem Bio Chem, Volume20, Issue 6, March 15, 2019, Pages 785-792, https://doi.org/10.1002/cbic.201800606

Syed T.Ahmed, Nicole G.H. Leferink, Nigel S.Scrutton, Chemo-enzymatic routes towards the synthesis of bio-based monomers and polymers, Molecular Catalysis, Volume 467, April 2019, Pages 95-110, DOI: https://doi.org/10.1016/j.mcat.2019.01.036

Feng, Xuan, Bello, Davide, Lowe, Phillip T., Clark, Joshua, O’Hagan, David, Two 3â€Č-O-ÎČ-glucosylated nucleoside fluorometabolites related to nucleocidin in Streptomyces calvus, Chemical Science, 2019, Volume: 10, Issue: 41, 9501-9505, DOI: 10.1039/c9sc03374b

Simon J. Bennie, Kara E. Ranaghan, Helen Deeks, Heather E. Goldsmith, Michael B. O’Connor, Adrian J. Mulholland, and David R. Glowacki, Teaching Enzyme Catalysis Using Interactive Molecular Dynamics in Virtual Reality, Journal of Chemical Education 2019 96 (11), 2488-2496, DOI: 10.1021/acs.jchemed.9b00181

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2022

K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross, Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality, 2022, Energies, DOI: 10.3390/en15041418 journal-article

Arrigo, Rosa, Blume, Raoul, Large, Alexander Ian, Velasco-VĂ©lez, Juan Jesus, HĂ€vecker, Michael, Knop-Gericke, Axel, Held, Georg, Dynamics over a Cu–graphite electrode during the gas-phase CO2 reduction investigated by APXPS, Faraday Discuss., 2022, Advance Article, DOI: https://doi.org/10.1039/D1FD00121C 

Hammerton, James M., Ross, Andrew B., Inorganic Salt Catalysed Hydrothermal Carbonisation (HTC) of Cellulose, Catalysts 2022, 12(5), 492, DOI: https://doi.org/10.3390/catal12050492

Brown, Aaron E., Hammerton, James M., Camargo-Valero, Miller Alonso, Ross, Andrew B., Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass, Energies 2022, 15(10), 3495, DOI: https://doi.org/10.3390/en15103495

Chengwu Qiu, Yaroslav Odarchenko, Qingwei Meng, Shaojun Xu, Ines Lezcano-Gonzalez, Paul Olalde-Velasco, Francesco Maccherozzi, Laura Zanetti-Domingues, Marisa Martin-Fernandez, and Andrew M. Beale, Resolving the Effect of Oxygen Vacancies on Co Nanostructures Using Soft XAS/X-PEEM, ACS Catal. 2022, 12, 15, 9125–9134, July 14, 2022, DOI: https://doi.org/10.1021/acscatal.2c00611

Kynman, Amy E., Elghanayan, Luca K., Desnoyer, Addison N., Yang, Yan, Laurent SĂ©very, Di Giuseppe, Andrea, Tilley, T. Don, Maron, Laurent, Arnold, Polly L., Controlled monodefluorination and alkylation of C(sp3)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity, Chem. Sci., 2022,13, 14090-14100, DOI: https://doi.org/10.1039/D2SC04192H

Zachariou, Andrea; Hawkins, Alexander P.; Howe, Russell F.; Skakle, Janet M. S.; Barrow, Nathan; Collier, Paul; Nye, Daniel W.; Smith, Ronald I.; Stenning, Gavin B. G.; Parker, Stewart F.; Lennon, David, Counting the Acid Sites in a Commercial ZSM-5 Zeolite Catalyst, ACS Phys. Chem Au 2023, 3, 1, 74–83, 2022, DOI: https://doi.org/10.1021/acsphyschemau.2c00040

Hawkins, Alexander P.; Zachariou, Andrea; Silverwood, Ian P.; Yong, Chin; Collier, Paul; Todorov, Ilian; Howe, Russell F.; Parker, Stewart F.; Lennon, David, Combining quasielastic neutron scattering and molecular dynamics to study methane motions in ZSM-5, J. Chem. Phys. 157, 184702 (2022); DOI: https://doi.org/10.1063/5.0123434

2021

Rosa Arrigo, Takeo Sasaki, June Callison, Diego Gianolio, Manfred Erwin Schuster, Monitoring dynamics of defects and single Fe atoms in N-functionalized few-layer graphene by in situ temperature programmed scanning transmission electron microscopy, Journal of Energy Chemistry, Volume 64, 2022,Pages 520-530, DOI: https://doi.org/10.1016/j.jechem.2021.05.005;

Kerr, Ryan W. F.; Ewing, Paul M. D. A.; Raman, Sumesh K.; Smith, Andrew D.; Williams, Charlotte K.; Arnold, Polly L., Ultrarapid Cerium(III)–NHC Catalysts for High Molar Mass Cyclic Polylactide, ACS Catal. 2021, 11, 3, 1563–1569, DOI: https://doi.org/10.1021/acscatal.0c04858;

Omori, Naomi; Candeo, Alessia; Mosca, Sara; Lezcano-Gonzalez, Ines; Robinson, Ian K.; Li, Luxi; Greenaway, Alex G.; Collier, Paul; Beale, Andrew M., Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ-13 Crystals, Angew. Chem. Int. Ed. 2021, 60, 5125., DOI: https://doi.org/10.1002/anie.202015016.

Annath, Hamza; Manayil, Jinesh C.; Thompson, Jillian; Marr, Andrew C.; Raja, Robert, Contrasting structure-property relationships in amorphous, hierarchical and microporous aluminophosphate catalysts for Claisen-Schmidt condensation reactions, Applied Catalysis A: General,
Volume 627, 2021, 118376, DOI: https://doi.org/10.1016/j.apcata.2021.118376

Zachariou, Andrea; Hawkins, Alexander P.; Howe, Russell F.; Barrow, Nathan; Bradley, Jonathan; Collier, Paul; Lennon, David; Parker, Stewart F., A Spectroscopic Paradox: The Interaction of Methanol with ZSM-5 at Room Temperature, Top Catal 64, 672–684 (2021). DOI: https://doi.org/10.1007/s11244-021-01462-9

2020

Zachariou, A.; Hawkins, A.; Parker, S.F.; Lennon, D.; Howe, R.F., Neutron spectroscopy studies of methanol to hydrocarbons catalysis over ZSM-5, Catalysis Today, Available online 12 May 2020, In Press, DOI: https://doi.org/10.1016/j.cattod.2020.05.030;

Kang, Liqun; Wang, Bolun; Thetford, Adam; Wu, Ke; Danaie, Mohsen; He, Qian; Gibson, Emma; Sun, Ling-Dong; Asakura, Hiroyuki; Catlow, Richard; Wang, Feng Ryan, Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation, Angewandte Chemie, 25 September 2020, DOI: https://doi.org/10.1002/anie.202008370;

Morteo-Flores, Fabian; Engel, Julien; Roldan, Alberto, Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 24 July 2020, Volume 378, Issue 2176, DOI: https://doi.org/10.1098/rsta.2020.0056;

I. Lezcano-Gonzalez, E. Campbell, A. E. J. Hoffman, M. Bocus, I. V. Sazanovich, M. Towrie, M. Agote-Aran, E. K. Gibson, A. Greenaway, K. De Wispelaere, V. Van Speybroeck & A. M. Beale, Insight into the effects of confined hydrocarbon species on the lifetime of methanol conversion catalysts, Nature Materials, volume 19, pages 1081–1087(2020), DOI: https://doi.org/10.1038/s41563-020-0800-y;

Grazia Malta, Simon A. Kondrat, Simon J. Freakley, David J. Morgan, Emma K. Gibson, Peter P. Wells, Matteo Aramini, Diego Gianolio, Paul B. J. Thompson, Peter Johnston and Graham J. Hutchings, In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination, Chem. Sci., 2020, Advance Article, DOI: https://doi.org/10.1039/D0SC02152K;

Arunabhiram Chutia, Adam Thetford, Michail Stamatakis and C. Richard A. Catlow, A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface, Phys. Chem. Chem. Phys., 2020, 22, 3620-3632, DOI: 10.1039/C9CP05476F;

Daniel Dervin, A. J. O’Malley, Marta Falkowska, Sarayute Chansai, Ian P. Silverwood, Christopher Hardacre and C. R. A. Catlow, Probing the dynamics and structure of confined benzene in MCM-41 based catalysts, Phys. Chem. Chem. Phys., 2020, Advance Article, DOI: https://doi.org/10.1039/D0CP01196G;

Alexander P. Hawkins, Andrea Zachariou, Stewart F. Parker, Paul Collier, Ian P. Silverwood, Russell F. Howe, David Lennon, Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy, ACS Omega 2020, 5, 14, 7762-7770, March 30, 2020,DOI: https://doi.org/10.1021/acsomega.9b03503;

Dr. Miren Agote‐ArĂĄn, Dr. Rachel E. Fletcher, Dr. Martha Briceno, Dr. Anna B. Kroner, Dr. Igor V. Sazanovich, Prof. Ben Slater, Dr. MarĂ­a E. Rivas, Dr. Andrew W. J. Smith, Dr. Paul Collier, Dr. InĂ©s Lezcano‐GonzĂĄlez, Prof. Andrew M. Beale, Implications of the Molybdenum Coordination Environment in MFI Zeolites on Methane Dehydroaromatisation Performance, Chem Cat Chem, Volume12, Issue 1, January 8, 2020, Pages 294-304 DOI: https://doi.org/10.1002/cctc.201901166/a>

Michael Bowker, Pip Hellier, Donato Decarolis, Diego Gianolio, Khaled M. H. Mohammed, Alex Stennerd, Thomas Huthwelker and Peter P. Wells, Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts, Phys. Chem. Chem. Phys., 2020, Advance Article, DOI: 10.1039/D0CP01192D;

Sebastiano Campisi, Carine E. Chan-Thaw, Lidia E. Chinchilla, Arunabhiram Chutia, Gianluigi A. Botton, Khaled M. H. Mohammed, Nikolaos Dimitratos, Peter P. Wells, and Alberto Villa, Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass Transformation and Maintenance of Catalytic Activity at Low Pd Loading, ACS Catal. 2020, 10, 10, 5483–5492, DOI: https://doi.org/10.1021/acscatal.0c00414;

Ivalina B. Minova, Santhosh K. Matam, Alex Greenaway, C. Richard A. Catlow, Mark D. Frogley, Gianfelice Cinque, Paul A. Wright and Russell F. Howe, Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy, Phys. Chem. Chem. Phys., 2020, DOI: https://doi.org/10.1039/D0CP00704H;

A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, S. F. Parker, D. Lennon, The Effect of Co-feeding Methyl Acetate on the H-ZSM5 Catalysed Methanol-to-Hydrocarbons Reaction, Topics in Catalysis, 2020, DOI: https://doi.org/10.1007/s11244-020-01258-3;

Andrea Zachariou, Alexander P. Hawkins, Paul Collier, Russell F. Howe, David Lennon, Stewart F. Parker, The Methyl Torsion in Unsaturated Compounds, ACS Omega 2020, 5, 6, 2755-2765, February 2020, DOI: https://doi.org/10.1021/acsomega.9b03351;

Matam, Santhosh K.; Moffat, Caitlin; Hellier, Pip; Bowker, Michael; Silverwood, Ian P.; Catlow, C. Richard A.; Jackson, S. David; Craswell, James; Wells, Peter P.; Parker, Stewart F.; Gibson, Emma K., Investigation of MoOx/Al2O3 under Cyclic Operation for Oxidative and Non-Oxidative Dehydrogenation of Propane, Catalysts 2020, 10(12), 1370, DOI: https://doi.org/10.3390/catal10121370;

Omori, Naomi; Candeo, Alessia; Mosca, Sara; Lezcano‐Gonzalez, Ines; Robinson, Ian K.; Li, Luxi; Greenaway, Alex G.; Collier, Paul; Beale, Andrew M., Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ-13 Crystals, Angew. Chem. Int. Ed. 2021, 60, 5125., DOI: https://doi.org/10.1002/anie.202015016;

Qiu, Chengwu; Odarchenko, Yaroslav; Meng, Qingwei; Cong, Peixi; Schoen, Martin A. W.; Kleibert, Armin; Forrest, Thomas; Beale, Andrew M., Direct observation of the evolving metal–support interaction of individual cobalt nanoparticles at the titania and silica interface, Chem. Sci., 2020,11, 13060-13070, DOI: https://doi.org/10.1039/D0SC03113E;

Rachel H. Blackmore, Maria Elena Rivas, Tugce Eralp Erden, Trung Dung Tran, Huw R. Marchbank, Dogan Ozkaya, Martha Briceno de Gutierrez, Alison Wagland, Paul Collier and Peter P. Wells, Understanding the mechanochemical synthesis of the perovskite LaMnO3 and its catalytic behaviour, Dalton Trans., 2020, 49, 232-240 DOI: 10.1039/C9DT03590G

Large, Alexander I.; Wahl, Sebastian; Abate, Salvatore; da Silva, Ivan; Delgado Jaen, Juan Jose; Pinna, Nicola; Held, Georg; Arrigo, Rosa, Investigations of Carbon Nitride-Supported Mn3O4 Oxide Nanoparticles for ORR, Catalysts 2020, 10(11), 1289; DOI: https://doi.org/10.3390/catal10111289

A. G. Greenaway, A. Marberger, A. Thetford, I. Lezcano-Gonzålez, M. Agote-Arån, M. Nachtegaal, D. Ferri, O. Kröcher, C. R. A. .Catlow, A. M. Beale(2020). Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy, Chemical Science, vol. 11, issue 2, page 2. DOI: 10.1039/c9sc04905c.

B. Venezia, E. Cao, S. K. Matam, C. Waldron, G. Cibin, E. K. Gibson, S. Golunski, P. P. Wells, I. P. Silverwood, C. R. A. .Catlow, G. Sankar, A. Gavriilidis(2020). Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions, Catalysis Science & Technology, vol. 10, issue 23, page 23. DOI: 10.1039/d0cy01608j;

Godfrey, Ian J., Dent, Andrew J., Parkin, Ivan P., Maenosono, Shinya, Sankar, Gopinathan, Following the Formation of Silver Nanoparticles Using In Situ X-ray Absorption Spectroscopy, ACS Omega 2020, 5, 23, 13664–13671, Publication Date: June 4, 2020, https://doi.org/10.1021/acsomega.0c00697.

Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A., Logsdail, Andrew J., Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations, CS Catal. 2020, 10, 15, 8904–8915, DOI: https://doi.org/10.1021/acscatal.0c01454

2019

Alex G. Greenaway, Adrian Marberger, Adam Thetford, Inés Lezcano-Gonzålez, Miren Agote-Arån, Maarten Nachtegaal, Davide Ferri, Oliver Kröcher, C. Richard A. Catlow and Andrew M. Beale, Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy, (Edge Article) Chem. Sci., 2020, 11, 447-455 DOI: 10.1039/C9SC04905C

Ivalina B. Minova, Santhosh K. Matam, Alex Greenaway, C. Richard A. Catlow, Mark D. Frogley, Gianfelice Cinque, Paul A. Wright and Russell F. Howe, Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy, ACS Catal., 2019, 9, 6564-6570, June 17, 2019, https://doi.org/10.1021/acscatal.9b01820

Sumesh K. Raman,  Robert Raja,  Polly L. Arnold,  Matthew G. Davidson  and  Charlotte K. Williams,  Waste not, want not: CO2 (re)cycling into block polymers, Chem. Commun., 2019,55, 7315-7318, June 2019, DOI: 10.1039/C9CC02459J

Ellie K. Dann, Emma K. Gibson, Rachel H. Blackmore, C. Richard A. Catlow, Paul Collier, Arunabhiram Chutia, Tugce Eralp Erden, Christopher Hardacre, Anna Kroner, Maarten Nachtegaal, Agnes Raj, Scott M. Rogers, S. F. Rebecca Taylor, Paul Thompson, George F. Tierney, Constantinos D. Zeinalipour-Yazdi, Alexandre Goguet & Peter P. Wells, Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy, Nature Catalysis, volume 2, pages 157–163 (2019), https://www.nature.com/articles/s41929-018-0213-3

Zachariou, A; Hawkins, A; Lennon, D; Parker, SF; Suwardiyanto; Matam, SK; Catlow, CRA; Collier, P; Hameed, A; McGregor, J; Howe, RF, Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering, APPLIED CATALYSIS A-GENERAL, Volume 569, 5 January 2019, Pages 1-7, DOI: https://doi.org/10.1016/j.apcata.2018.10.010

Miren Agote-Arån, Inés Lezcano-Gonzålez, Alex G.Greenaway, Shusaku Hayama, Sofía Díaz-Moreno, Anna B.Kroner, Andrew M.Beale, Operando HERFD-XANES/XES studies reveal differences in the activity of Fe-species in MFI and CHA structures for the standard selective catalytic reduction of NO with NH3, Applied Catalysis, A: General, Volume 570, 25 January 2019, Pages 283-291, DOI: https://doi.org/10.1016/j.apcata.2018.11.026.

Hasliza Bahruji, Norli Abdullah, Scott Rogers, Peter Wells, Richard Catlow and Michael Bowker, Pd local structure and size correlations on the activity of Pd/ TiO2 for photocatalytic reforming of methanol, Phys. Chem. Chem. Phys., June 2019, 10.1039/C9CP00826H

Hasliza Bahruji, Michael Bowker and Philip R Davies, Influence of TiO2 structural properties on photocatalytic hydrogengas production, J. Chem. Sci.(2019) 131:33, https://doi.org/10.1007/s12039-019-1608-7

Matthew E. Potter, Lauren N. Riley1, Alice E. Oakley, Panashe M. Mhembere, June Callison and Robert Raja, The influence of porosity on nanoparticle formation in hierarchical aluminophosphates, Beilstein J. Nanotechnol. Sept 2019, 10, 1952–1957. doi:10.3762/bjnano.10.191

George F. Tierney, Donato Decarolis, Norli Abdullah, Scott M. Rogers, Shusaku Hayama, Martha Briceno de Gutierrez, Alberto Villa, C. Richard A. Catlow, Paul Collier, Nikolaos Dimitratos and Peter P. Wells, Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization, Nanoscale Adv., May 2019, 1, 2546-2552, DOI: 10.1039/C9NA00159J

Alexander P. Hawkins, Andrea Zachariou, Paul Collier, Russell A. Ewings, Russell F. Howe, Stewart F. Parker and David Lennon, Low-temperature studies of propene oligomerization in ZSM-5 by inelastic neutron scattering spectroscopy, RSC Adv., 2019, 9, 18785-18790, DOI: 10.1039/C9RA03568K

Yudao Qin, Xiaoyu Han, Srinivas Gadipelli, Jian Guo, Shijie Wu b, Liqun Kang, June Callison and Zhengxiao Guo, In situ synthesized low-PtCo@porous carbon catalyst for highly efficient hydrogen evolution, J. Mater. Chem. A, 2019, 7, 6543-6551, DOI: 10.1039/C8TA12263F

Stuart A. Bartlett, Emma V. Sackville, Emma K. Gibson, Veronica Celorrio, Peter P. Wells, Maarten Nachtegaal, Stafford W. Sheehan, Ulrich Hintermair, Evidence for tetranuclear bis-Ό-oxo cubane species in molecular iridium-based water oxidation catalysts from XAS analysis, Chem. Commun., 2019, 55, 7832-7835, DOI: 10.1039/C9CC02088H

Shan Jiang, Harrison J. Cox, Evangelos I. Papaioannou, Chenyang Tang, Huiyu Liu, Billy J. Murdoch, Emma K. Gibson, Ian S. Metcalfe, John S. O. Evans and Simon K. Beaumont, Shape-persistent porous organic cage supported palladium nanoparticles as heterogeneous catalytic materials, Nanoscale, 2019, 11, 14929-14936, DOI: 10.1039/C9NR04553H

Stephanie Chapman, Dr. Alexander J. O’Malley, Dr. Ivana Miletto, Dr. Marina Carravetta, Dr. Paul Cox, Prof. Enrica Gianotti, Leonardo Marchese, Dr. Stewart F. Parker, Prof. Robert Raja, Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts, Chemistry A European Journal, Volume 25, Issue 42, July 25, 2019, Pages 9938-9947, https://doi.org/10.1002/chem.201901188

Pip Hellier, Peter P. Wells, Michael Bowker, Methanol oxidation over shell-core MOx/Fe2O3 (M=Mo, V, Nb) catalysts, Chinese Journal of Catalysis, 2019, Vol. 40 Issue (11): 1686-1692, DOI: S1872-2067(19)63350-4

Constantinos D. Zeinalipour-Yazdi and C. Richard A. Catlow, An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid, Phys. Chem. Chem. Phys., 2019,21, 22331-22343, DOI: https://doi.org/10.1039/C9CP02968K

Michael Bowker, Methanol Synthesis from CO2 Hydrogenation, Chem Cat Chem, Volume 11, Issue 17, September 5, 2019, Pages 4238-4246, DOI: https://doi.org/10.1002/cctc.201900401

Dann, Ellie K., Gibson, Emma K., Catlow, C. Richard A., Celorrio, VerĂłnica, Collier, Paul, Eralp, Tugce, Amboage, Monica, Hardacre, Christopher, Stere, Cristina E., Kroner, Anna, Raj, Agnes, Rogers, Scott, Goguet, Alexandre, Wells, Peter P., Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/Îł-Al2O3, Journal of Catalysis, 2019, Volume: 373, 201-208, DOI: 10.1016/j.jcat.2019.03.037

Ye, Guanghua, Wang, Haizhi, Zhou, Xinggui, Keil, Frerich J., Coppens, Marc-Olivier, Yuan, Weikang, Optimizing catalyst pore network structure in the presence of deactivation by coking, AIChE Journal, 2019, Volume: 65, Issue: 10, DOI: 10.1002/aic.16687

Yanbin Shen, Aref Mamakhel, Xi Liu, Thomas W. Hansen, Tommaso Tabanelli, Danilo Bonincontro, Bo B. Iversen, Laura Prati, Yongwang Li, J. W. Hans Niemantsverdriet, Graham Hutchings, Nikolaos Dimitratos, Alberto Villa and Ren Su, Promotion Mechanisms of Au Supported on TiO2 in Thermal- and Photocatalytic Glycerol Conversion, J. Phys. Chem. C 2019, 123, 32, 19734–19741, DOI: https://doi.org/10.1021/acs.jpcc.9b05475;

M. Agote-ArĂĄn, R. E. Fletcher, M. Briceno de Gutierrez, A. B. Kroner, I. V. Sazanovich, B. Slater, M. E. Rivas, A. J. Smith, P. Collier, I. Lezcano-GonzĂĄlez, A. M. Beale(2019). Implications of the Molybdenum Coordination Environment in MFI Zeolites on Methane Dehydroaromatisation Performance, ChemCatChem, vol. 12, issue 1, page 1. DOI: 10.1002/cctc.201901166.

N. Omori, A. G. Greenaway, M. Sarwar, P. Collier, G. Valentini, A. M. Beale, A. Candeo(2019). Understanding the Dynamics of Fluorescence Emission during Zeolite Detemplation Using Time Resolved Photoluminescence Spectroscopy, The Journal of Physical Chemistry C, vol. 124, issue 1, page 1. DOI: 10.1021/acs.jpcc.9b09050.

W. Jones, D. J. Martin, A. Caravaca, A. M. Beale, M. Bowker, T. Maschmeyer, G. Hartley, A. Masters(2019). A comparison of photocatalytic reforming reactions of methanol and triethanolamine with Pd supported on titania and graphitic carbon nitride, Applied Catalysis B: Environmental, vol. 240, page . DOI: 10.1016/j.apcatb.2017.01.042.

Zeinalipour-Yazdi, Constantinos D., Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces, Phys. Chem. Chem. Phys., 2019,21, 19365-19377, DOI: https://doi.org/10.1039/C9CP03934A

Guo, Zhongyuan, Li, Xin, Hu, Shen, Ye, Guanghua, Zhou, Xinggui, Coppens, Marc-Olivier, Understanding the Role of Internal Diffusion Barriers in Pt/Beta Zeolite Catalyzed Isomerization of n-Heptane, Angew. Chem. Int. Ed. 2020, 59, 1548. DOI: https://doi.org/10.1002/anie.201913660

Click on the links for previous years design publications: 2018, 2017, 2016, 2015, 2014, 2013

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Energy

2021

Veronica Celorrio, Andrew S. Leach, Haoliang Huang, Shusaku Hayama, Adam Freeman, David W. Inwood, David J. Fermin, and Andrea E. Russell, Relationship between Mn Oxidation State Changes and Oxygen Reduction Activity in (La,Ca)MnO3 as Probed by In Situ XAS and XES, ACS Catal. 2021, 11, XXX, 6431–6439, https://doi.org/10.1021/acscatal.1c00997

Huang, Haoliang; Nassr, Abu Bakr Ahmed Amine; Celorrio, Verónica; Gianolio, Diego; Hardacre, Christopher; Brett, Dan J. L.; Russell, Andrea E., Contrasting the EXAFS obtained under air and H2 environments to reveal details of the surface structure of Pt–Sn nanoparticles, Phys. Chem. Chem. Phys., 2021,23, 11738-11745, https://doi.org/10.1039/D1CP00979F

Celorrio, V.; Tiwari, D.; Calvillo, L.; Leach, A.; Huang, H.; Granozzi, G.; Alonso, J.A.; Aguadero, A.; Pinacca, R.M.; Russell, A.E.; Fermin, D.J., Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures, CS Appl. Energy Mater. 2021, 4, 1, 176–185, DOI: https://doi.org/10.1021/acsaem.0c02060

F.R. GarcĂ­a-GarcĂ­a, I.S. Metcalfe, Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window, Catalysis Communications, Volume 160, 2021, 106356, ISSN 1566-7367, DOI: https://doi.org/10.1016/j.catcom.2021.106356.

2020

Tang Son Nguyen, Paul McKeever, Miryam Arredondo-Arechavala, Yi-Chi Wang, Thomas J. A. Slater, Sarah J. Haigh, Andrew M. Beale and Jillian M. Thompson, Correlation of the ratio of metallic to oxide species with activity of PdPt catalysts for methane oxidation, Catal. Sci. Technol., 2020,10, 1408-1421, https://doi.org/10.1039/C9CY02371B

Stere, Cristina; Chansai, Sarayute; Gholami, Rahman; et al., A design of a fixed bed plasma DRIFTS cell for studying the NTP-assisted heterogeneously catalysed reactions, Catal. Sci. Technol., 2020,10, 1458-1466, https://doi.org/10.1039/D0CY00036A

Emma Freeman, Santosh Kumar, Veronica Celorrio, Min Su Park, Jong Hak Kim, David J. Fermin and Salvador Eslava, Strategies for the deposition of LaFeO3 photocathodes: improving the photocurrent with a polymer template, Sustainable Energy Fuels, 2020, 4, 884-894; https://doi.org/10.1039/C9SE01103J

K. Oster, A. A. Tedstone, A. J. Greer, N. Budgen, A. A. Garforth, C. Hardacre(2020). Dehydrochlorination of PVC in multi-layered blisterpacks using ionic liquids, Green Chemistry, vol. 22, issue 15, page 15. DOI: 10.1039/d0gc01312a.

S. Xu, S. Chansai, S. Xu, C. E. Stere, Y. Jiao, S. Yang, C. Hardacre, X. Fan(2020). CO Poisoning of Ru Catalysts in CO2 Hydrogenation under Thermal and Plasma Conditions: A Combined Kinetic and Diffuse Reflectance Infrared Fourier Transform Spectroscopy–Mass Spectrometry Study, ACS Catalysis, vol. 10, issue 21, page 21. DOI: 10.1021/acscatal.0c03620;

Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, David J., Eslava, Salvador, PrFeO3 Photocathodes Prepared Through Spray Pyrolysis, ChemElectroChem, Volume7, Issue 6, March 16, 2020, Pages 1365-1372, DOI: https://doi.org/10.1002/celc.201902005.

2019

Juan Carlos CalderĂłn GĂłmez, VerĂłnica Celorrio, Laura Calvillo, David SebastiĂĄn, Rafael Moliner and MarĂ­a JesĂșs LĂĄzaro Elorri, Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation, Surfaces, 2019, 2(1), 1-15; https://doi.org/10.3390/surfaces2010001

Iunia Podolean, Octavian D.Pavel, Haresh G.Manyar, S.F. Rebecca Taylor, Kathryn Ralphs, Peter Goodrich, Vasile I.PĂąrvulescu, Christopher Hardacre, SCILLs as selective catalysts for the oxidation of aromatic alcohols, Catalysis Today, Volume 333, 1 August 2019, Pages 140-146, DOI: https://doi.org/10.1016/j.cattod.2018.07.014

Shaojun Xu, Sarayute Chansai, Cristina Stere, Burapat Inceesungvorn, Alexandre Goguet, Kanlayawat Wangkawong, S. F. Rebecca Taylor, Nadeen Al-Janabi, Christopher Hardacre, Philip A. Martin & Xiaolei Fan, Sustaining metal–organic frameworks for water–gas shift catalysis by non-thermal plasma, Nature Catalysis volume 2, pages142–148(2019), DOI: https://doi.org/10.1038/s41929-018-0206-2

Yang Su, Eric Prestat, Chengyi Hu, Vinod Kumar Puthiyapura, Mehdi Neek-Amal, Hui Xiao, Kun Huang, Vasyl G. Kravets, Sarah J. Haigh, Christopher Hardacre, Francois M. Peeters, Rahul R. Nair, Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers, Nano Lett. 2019, 19, 7, 4678-4683, https://doi.org/10.1021/acs.nanolett.9b01733

P. ClĂ©ment, X. Xu, C. T. Stoppiello, G. A. Rance, A. Attanzio, J. N. O’Shea, R. H. Temperton, A. N. Khlobystov, K. R. J. .Lovelock, J. M. Seymour, R. M. Fogarty, A. Baker, R. A. Bourne, B. Hall, T. W. Chamberlain, M. Palma, Direct Synthesis of Multiplexed Metal‐Nanowire‐Based Devices by Using Carbon Nanotubes as Vector Templates, Angewandte Chemie Int. Ed. 2019, 58, 9928. DOI: https://doi.org/10.1002/anie.201902857

W. Jones, D. J. Martin, A. Caravaca, A. M. Beale, M. Bowker, T. Maschmeyer, G. Hartley, A. Masters(2019). A comparison of photocatalytic reforming reactions of methanol and triethanolamine with Pd supported on titania and graphitic carbon nitride, Applied Catalysis B: Environmental, vol. 240, page . DOI: 10.1016/j.apcatb.2017.01.042.

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Transformations
2023

Guo, Yanhui, Zulkifly, Ili, Soderman, Jennifer, Protchenko, Andrey V., Kolychev, Eugene L., Fuentes, M. Ángeles, Aldridge, Simon, Torsional Control of Frustrated Lewis Pair Behaviour Involving PNP-type Phosphines, Z. Anorg. Allg. Chem. 2023, 649, e202300016. DOI: https://doi.org/10.1002/zaac.202300016

2022

F. Y. T. .Lam, J. A. L. .Wells, T. Ochiai, C. J. V. .Halliday, K. N. McCabe, L. Maron, P. L. Arnold, A Combined Experimental and Theoretical Investigation of Arene-Supported Actinide and Ytterbium Tetraphenolate Complexes, 2022, Inorganic Chemistry DOI: 10.1021/acs.inorgchem.1c03365 journal-article

Zulkifly, Ili, Protchenko, Andrey V., Fuentes, M. Ángeles, Hicks, Jamie, Aldridge, Simon, Reactions of a Dimethylxanthene-Derived Frustrated Lewis Pair with Silanes and Stannanes, ZAAC, 2022, Early view of e202200110 edition, DOI: https://doi.org/10.1002/zaac.202200110

Lo, Quintin, Pye, Dominic, Gesslbauer, Sami, Sim, Ying, García, Felipe, White, Andrew J. P., Britovsek, George J. P., Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation, Catal. Sci. Technol., 2022, Advance Article, DOI: 10.1039/D2CY00550F

Booth, Anna C., Vasko, Petra, Fuentes, M. Ángeles Fuentes, Cornelissen, Bart, Faulkner, Stephen, Aldridge, Simon, Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride versus oxide chelation, Dalton Trans., 2022, 51, 15783-15791, DOI: 10.1039/D2DT02888C

2021

Gray, Steven J.; Brown, Karen; Lam, Francis Y. T.; Garden, Jennifer A.; Arnold, Polly L., Dinuclear Ce(IV) Aryloxides: Highly Active Catalysts for Anhydride/Epoxide Ring-Opening Copolymerization, Organometallics 2021, 40, 7, 948–958, DOI: https://doi.org/10.1021/acs.organomet.1c00055

Arnold, Polly L.; Halliday, Connor J. V.; Puig-Urrea, Laura; Nichol, Gary S., Instantaneous and Phosphine-Catalyzed Arene Binding and Reduction by U(III) Complexes, Inorg. Chem. 2021, 60, 6, 4162–4170, DOI: https://doi.org/10.1021/acs.inorgchem.1c00327

A. C. Deacy, C. B. Durr, R. W. F. .Kerr, C. K. Williams(2021). Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation, Catalysis Science & Technology, vol. 11, issue 9, page 9. DOI: 10.1039/d1cy00238d.

Andrey V. Protchenko,a   M. Ángeles Fuentes, Jamie Hicks, Caitilín McManus, Rémi Tirfoina and Simon Aldridge, Reactions of a diborylstannylene with CO2 and N2O: diboration of carbon dioxide by a main group bis(boryl) complex, Dalton Trans., 2021,50, 9059-9067, DOI: https://doi.org/10.1039/D1DT01216A

2020

Josephson, Brian; Fehl, Charlie; Isenegger, Patrick G.; Nadal, Simon; Wright, Tom H.; Poh, Adeline W. J.; Bower, Ben J.; Giltrap, Andrew M.; Chen, Lifu; Batchelor-McAuley, Christopher; Roper, Grace; Arisa, Oluwatobi; Sap, Jeroen B. I.; Kawamura, Akane; Baldwin, Andrew J.; Mohammed, Shabaz; Compton, Richard G.; Gouverneur, Veronique; Davis, Benjamin G., Light-driven post-translational installation of reactive protein side chains, Nature, volume 585, pages 530–537(2020), 10.1038/s41586-020-2733-7

A. Rosie Chhatwal, Helen V. Lomax, A. John Blacker, Jonathan M. J. Williams and Patricia Marcé, Direct synthesis of amides from nonactivated carboxylic acids using urea as nitrogen source and Mg(NO3)2 or imidazole as catalysts, Chem. Sci.,, 2020,11, 5808-5818, https://doi.org/10.1039/D0SC01317J

G. S. Sulley, G. L. Gregory, T. T. D. .Chen, L. Pena Carrodeguas, G. Trott, A. Santmarti, K. -Y. Lee, N. J. Terrill, C. K. Williams(2020). Switchable Catalysis Improves the Properties of CO2-Derived Polymers: Poly(cyclohexene carbonate-b-Δ-decalactone-b-cyclohexene carbonate) Adhesives, Elastomers, and Toughened Plastics, Journal of the American Chemical Society, vol. 142, issue 9, page 9. DOI: 10.1021/jacs.9b13106.

S. K. Raman, A. C. Deacy, L. Pena Carrodeguas, N. V. Reis, R. W. F. .Kerr, A. Phanopoulos, S. Morton, M. G. Davidson, C. K. Williams(2020). Ti(IV)–Tris(phenolate) Catalyst Systems for the Ring-Opening Copolymerization of Cyclohexene Oxide and Carbon Dioxide, Organometallics, vol. 39, issue 9, page 9. DOI: 10.1021/acs.organomet.9b00845.

T. T. D. .Chen, L. P. ñA. Carrodeguas, G. S. Sulley, G. L. Gregory, C. K. Williams(2020). Bio-based and Degradable Block Polyester Pressure-Sensitive Adhesives, Angewandte Chemie International Edition, vol. 59, issue 52, page 52. DOI: 10.1002/anie.202006807.

N. Yuntawattana, T. M. McGuire, C. B. Durr, A. Buchard, C. K. Williams(2020). Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations, Catalysis Science & Technology, vol. 10, issue 21, page 21. DOI: 10.1039/d0cy01484b.

A. C. Deacy, C. B. Durr, C. K. Williams(2020). Heterodinuclear complexes featuring Zn(ii) and M = Al(iii), Ga(iii) or In(iii) for cyclohexene oxide and CO2 copolymerisation, Dalton Transactions, vol. 49, issue 1, page 1. DOI: 10.1039/c9dt02918d.

T. T. D. .Chen, L. P. ñA. Carrodeguas, G. S. Sulley, G. L. Gregory, C. K. Williams(2020). Bio-based and Degradable Block Polyester Pressure-Sensitive Adhesives, Angewandte Chemie, vol. 132, issue 52, page 52. DOI: 10.1002/ange.202006807.

Caise, Alexa, Hicks, Jamie, M. Ángeles Fuentes, Goicoechea, Jose M., Aldridge, Simon, Partnering a Three-Coordinate Gallium Cation with a Hydroborate Counter-Ion for the Catalytic Hydrosilylation of CO2, Chemistry A European Journal, Volume27, Issue 6, January 26, 2021, Pages 2138-2148, 10 November 2020, DOI: https://doi.org/10.1002/chem.202004408 

Protchenko, Andrey V., Vasko, Petra, Fuentes, M. Ángeles Fuentes, Hicks, Jamie, Vidovic, Dragoslav, Aldridge, Simon, Approaching a “Naked” Boryl Anion: Amide Metathesis as a Route to Calcium, Strontium, and Potassium Boryl Complexes, Angewandte Chemie, Volume60, Issue 4, January 25, 2021, Pages 2064-2068, First published: 07 October 2020, DOI: https://doi.org/10.1002/anie.202011839 

Zhou, Xueer, Vasko, Petra, Hicks, Jamie, M. Ángeles Fuentes, Heilmann, Andreas, Kolychev, Eugene L., Aldridge, Simon, Cooperative N–H bond activation by amido-Ge(ii) cations, Dalton Trans., 2020,49, 9495-9504, DOI: DOI: https://doi.org/10.1039/D0DT01960G 

Do, Dinh Cao Huan, Vasko, Petra, Fuentes, M. Ángeles Fuentes, Hicks, Jamie, Aldridge, Simon, Probing the non-innocent nature of an amino-functionalised ÎČ-diketiminate ligand in silylene/iminosilane systems, Dalton Trans., 2020,49, 8701-8709, DOI: https://doi.org/10.1039/D0DT01447H 

2019

Maya Singer Hobbs, Emma V. Sackville, Andrew J. Smith, Karen J. Edler, Ulrich Hintermair, In‐situ Monitoring of Nanoparticle Formation during Iridium‐catalysed Oxygen Evolution by real‐time Small Angle X‐ray Scattering, Chem Cat Chem, August 2019, https://doi.org/10.1002/cctc.201901268

Antonis M. Messinis, Stephen L. J. Luckham, Peter P. Wells, Diego Gianolio, Emma K. Gibson, Harry M. O’Brien, Hazel A. Sparkes, Sean A. Davis, June Callison, David Elorriaga, Oscar Hernandez-Fajardo & Robin B. Bedford, The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling, Nature Catalysis volume 2, pages123–133 (2019), DOI: https://doi.org/10.1038/s41929-018-0197-z

Margherita Macino, Alexandra J. Barnes, Sultan M. Althahban, Ruiyang Qu, Emma K. Gibson, David J Morgan, Simon J. Freakley, Nikolaos Dimitratos, Christopher J. Kiely, Xiang Gao, Andrew M. Beale, Donald Bethell, Qian He, Meenakshisundaram Sankar & Graham J. Hutchings, Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene, Nature Catalysis (2019), September 2019, DOI: https://doi.org/10.1038/s41929-019-0334-3

Arnold, Polly L., Puig-Urrea, Laura, Wells, Jordann A. L., Yuan, Dan, Cruickshank, Faye L., Young, Rowan D., Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes, Dalton Transactions, 2019, Volume: 48, Issue: 15, 4894-4905, DOI: 10.1039/c8dt05051a

B. A. Jones, T. Balan, J. D. Jolliffe, C. D. Campbell, M. D. Smith, Practical and Scalable Kinetic Resolution of BINOLs Mediated by a Chiral Counterion, Angewandte Chemie International Edition, 2019, 58, 4596. DOI: 10.1002/anie.201814381 journal-article

J. Y. C. .Lim, N. Yuntawattana, P. D. Beer, C. K. Williams (2019). Isoselective Lactide Ring Opening Polymerisation using [2]Rotaxane Catalysts, Angewandte Chemie International Edition, vol. 58, issue 18, page 18. DOI: 10.1002/anie.201901592

G. Trott, J. A. Garden, C. K. Williams(2019). Heterodinuclear zinc and magnesium catalysts for epoxide/CO2 ring opening copolymerizations, Chemical Science, vol. 10, issue 17, page 17. DOI: 10.1039/c9sc00385a

T. StĂ¶ĂŸer, G. S. Sulley, G. L. Gregory, C. K. Williams(2019). Easy access to oxygenated block polymers via switchable catalysis, Nature Communications, vol. 10, issue 1, DOI: 10.1038/s41467-019-10481-w

J. R. Pankhurst, S. Paul, Y. Zhu, C. K. Williams, J. B. Love(2019). Polynuclear alkoxy–zinc complexes of bowl-shaped macrocycles and their use in the copolymerisation of cyclohexene oxide and CO2, Dalton Transactions, vol. 48, issue 15, page 15. DOI: 10.1039/c9dt00595a

Y. Zhu, A. Poma, L. Rizzello, V. M. Gouveia, L. Ruiz-Perez, G. Battaglia, C. K. Williams(2019). Metabolically Active, Fully Hydrolysable Polymersomes, Angewandte Chemie International Edition, vol. 58, issue 14, page 14. DOI: 10.1002/anie.201814320

Vasko, Petra, M. Ángeles Fuentes, Hicks, Jamie, Aldridge, Simon, Reversible O–H bond activation by an intramolecular frustrated Lewis pair, Dalton Trans., 2019,48, 2896-2899, DOI: https://doi.org/10.1039/C9DT00228F 

Ying Kai Loh, Lu Ying, Dr. M. Ángeles Fuentes, Dinh Cao Huan Do, Prof. Simon Aldridge, An N-Heterocyclic Boryloxy Ligand Isoelectronic with N-Heterocyclic Imines: Access to an Acyclic Dioxysilylene and its Heavier Congeners, Angewandte Chemie, Volume58, Issue15, April 1, 2019, Pages 4847-4851, DOI: https://doi.org/10.1002/anie.201812058 

Dr. Lilja KristinsdĂłttir, Dr. Petra Vasko, Haoyu Niu, Dr. Eugene L. Kolychev, Dr. JesĂșs Campos, Dr. M. Ángeles Fuentes, Dr. Jamie Hicks, Dr. Amber L. Thompson, Prof. Simon Aldridge, Borylated N-Heterocyclic Carbenes: Rearrangement and Chemical Trapping, Chemistry A European Journal, Volume25, Issue10, February 18, 2019, Pages 2556-2568, DOI: https://doi.org/10.1002/chem.201804808

Caise, Alexa, Kolychev, Eugene L., Hicks, Jamie, M. Ángeles Fuentes, Goicoechea, Jose M., Aldridge, Simon, Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}2: structural, thermodynamic and reactivity studies, Dalton Trans., 2019,48, 10845-10852, DOI: https://doi.org/10.1039/C9DT00535H

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Environment
2021

Doble, Megan V.; Obrecht, Lorenz; Joosten, Henk-Jan; Lee, Misun; Rozeboom, Henriette J.; Branigan, Emma; Naismith, James. H.; Janssen, Dick B.; Jarvis, Amanda G.; Kamer, Paul C. J., Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity, ACS Catal. 2021, 11, 6, 3620–3627, https://doi.org/10.1021/acscatal.0c05413

Ruiz Esquius, Jonathan; Bahruji, Hasliza; Bowker, Michael; Hutchings, Graham J., Identification of C2–C5 products from CO2 hydrogenation over PdZn/TiO2–ZSM-5 hybrid catalysts, Faraday Discuss., 2021, Advance Article , https://doi.org/10.1039/D0FD00135J

S. Guan, G. E. Rossi, J. M. Winfield, C. Wilson, D. MacLaren, D. J. Morgan, P. R. Davies, D. J. Willock, D. Lennon, The interaction of CO with a copper(ii) chloride oxy-chlorination catalyst, Faraday Discuss., 2021,229, 318-340, DOI: https://doi.org/10.1039/D0FD00014K

George F. Tierney, Dr. Shahram Alijani, Monik Panchal, Dr. Donato Decarolis, Dr. Martha Briceno de Gutierrez, Dr. Khaled M. H. Mohammed, Dr. June Callison, Dr. Emma K. Gibson, Paul B. J. Thompson, Dr. Paul Collier, Prof. Nikolaos Dimitratos, Dr. E. Crina Corbos, Dr. Frederic Pelletier, Prof. Alberto Villa, Dr. Peter P. Wells, Controlling the Production of Acid Catalyzed Products of Furfural Hydrogenation by Pd/TiO2, ChemCatChem, October 2021, Online Version of Record before inclusion in an issue, DOI: https://doi.org/10.1002/cctc.202101036

Wallace, William T.; Hayward, James S.; Ho, Chen-Yu; Marsh, Amy R.; Tariq, Anisa; Bartley, Jonathan K., Triethylamine–Water as a Switchable Solvent for the Synthesis of Cu/ZnO Catalysts for Carbon Dioxide Hydrogenation to Methanol, Top Catal 64, 984–991 (2021). DOI: https://doi.org/10.1007/s11244-021-01457-6

2020

Bowker, M.; Jones, W., Methanol photo-reforming with water on pure titania for hydrogen production, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 24 July 2020, Volume 378, Issue 2176, 10.1098/rsta.2020.0058

Davies, Catherine J.; Mayer, Alexander; Gabb, Jess; Walls, Jake M.; Degirmenci, Volkan; Thompson, Paul B. J.; Cibin, Giannantonio; Golunski, Stan; Kondrat, Simon A., Operando potassium K-edge X-ray absorption spectroscopy: investigating potassium catalysts during soot oxidation, Phys. Chem. Chem. Phys., 2020, 22, 18976-18988, 10.1039/D0CP01227K

2019

Hasliza Bahruji, Norli Abdullah, Scott Rogers, Peter Wells, Richard Catlow and Michael Bowker, Pd local structure and size correlations on the activity of Pd/ TiO2 for photocatalytic reforming of methanol, Phys. Chem. Chem. Phys., June 2019, 10.1039/C9CP00826H

Dr. Richard J. Lewis, Mr. Kenji Ueura, Dr. Yukimasa Fukuta, Dr. Simon J. Freakley, Mr. Liqun Kang, Dr. Ryan Wang, Dr. Qian He, Dr. Jennifer. K. Edwards, Dr. David J. Morgan, Dr. Yasushi Yamamoto, Prof. Graham J. Hutchings, The Direct Synthesis of H2O2 Using TS-1 Supported Catalysts, Chem Cat Chem, 2019, doi:10.1002/cctc.201900100

Hasliza Bahruji, Michael Bowker and Philip R Davies, Influence of TiO2 structural properties on photocatalytic hydrogengas production, J. Chem. Sci.(2019) 131:33, https://doi.org/10.1007/s12039-019-1608-7

Margherita Macino, Alexandra J. Barnes, Sultan M. Althahban, Ruiyang Qu, Emma K. Gibson, David J Morgan, Simon J. Freakley, Nikolaos Dimitratos, Christopher J. Kiely, Xiang Gao, Andrew M. Beale, Donald Bethell, Qian He, Meenakshisundaram Sankar & Graham J. Hutchings, Tuning of catalytic sites in Pt/TiO2 catalysts for the chemoselective hydrogenation of 3-nitrostyrene, Nature Catalysis (2019), September 2019, DOI: https://doi.org/10.1038/s41929-019-0334-3

R. J. Lewis, A. Bara-Estaun, N. Agarwal, S. J. Freakley, D. J. Morgan, G. J. Hutchings(2019). The Direct Synthesis of H2O2 and Selective Oxidation of Methane to Methanol Using HZSM-5 Supported AuPd Catalysts, Catalysis Letters, vol. 149, issue 11, page 11. DOI: 10.1007/s10562-019-02876-7.

Click on the links for previous years environment publications: 2018, 2017, 2016, 2015, 2014

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Non-Project Publications and Collaborations

  • 2023 â–Œ

    Sharma, Pankaj; Sharma, Monika; Dearg, Malcolm; Wilding, Martin; Slater, Thomas J.A.; Catlow, C. Richard A., Cd/Pt Precursor Solution for Solar H2 Production and in-situ Photochemical Synthesis of Pt Single-atom Decorated CdS Nanoparticles, Angew. Chem. Int. Ed. 2023, e202301239; Angew. Chem. 2023, e202301239. DOI: https://doi.org/10.1002/anie.202301239

  • 2022 â–Œ

    Pankaj Sharma, Thomas J. A. Slater, Monika Sharma, Michael Bowker, and C. Richard A. Catlow, Enhanced H2O2 Production via Photocatalytic O2 Reduction over Structurally-Modified Poly(heptazine imide), Chem. Mater. 2022, 34, 12, 5511–5521, DOI: https://doi.org/10.1021/acs.chemmater.2c00528

    Paul, Ratul, Sarkar, Chitra, Jain, Manjari, Xu, Shaojun, Borah, Kashmiri, Dao, Duy Quang, Pao, Chih-Wen, Bhattacharya, Saswata, Mondal, John, Ferrocene-derived Fe-metalated porous organic polymer for the core planarity-triggered detoxification of chemical warfare agents, Chem. Commun., 2022,58, 7789-7792, DOI:https://doi.org/10.1039/D2CC01785G 

    Manuel Alejandro Ávila-López, Jeannie Z.Y. Tan, E. Luévano-Hipólito, Leticia M. Torres-Martínez, M. Mercedes Maroto-Valer, Production of CH4 and CO on CuxO and NixOy coatings through CO2 photoreduction, Journal of Environmental Chemical Engineering, Volume 10, Issue 4, 2022,
    108199, DOI: https://doi.org/10.1016/j.jece.2022.108199

  • 2021 â–Œ

    C. Richard A. Catlow, Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects, Faraday Discuss., 2021,229, 502-513, https://doi.org/10.1039/D1FD00027F

    Arjun Cherevotan, Jithu Raj, Lakshay Dheer, Soumyabrata Roy, Shreya Sarkar, Risov Das, Chathakudath P. Vinod, Shaojun Xu, Peter Wells, Umesh V. Waghmare, and Sebastian C. Peter, Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol, ACS Energy Lett. 2021, 6, 2, 509–516, https://doi.org/10.1021/acsenergylett.0c02614

    Z. Ye, C. Li, M. Celentano, M. Lindley, T. O’Reilly, A. J. Greer, Y. Huang, C. Hardacre,S. J. Haigh, Y. Xu, S. E. J. .Bell, Surfactant-free Synthesis of Spiky Hollow Ag–Au Nanostars with Chemically Exposed Surfaces for Enhanced Catalysis and Single-Particle SERS, 2021, JACS Au DOI: 10.1021/jacsau.1c00462 journal-article

    R. Arrigo, R. Blume, V. Streibel, C. Genovese, A. Roldan, M. E. Schuster, C. Ampelli, S. Perathoner, J. J. Velasco-Velez, M. HĂ€vecker, A. Knop-Gericke, R. Schlögl, G. Centi, Dynamics at Polarized Carbon Dioxide–Iron Oxyhydroxide Interfaces Unveil the Origin of Multicarbon Product Formation, 2021, ACS Catalysis DOI: 10.1021/acscatal.1c04296 journal-article

    Ding, Shengzhe; Ganesh, Muhammad; Jiao, Yilai; Ou, Xiaoxia; Isaacs, Mark A.; S’ari, Mark; Torres Lopez, Antonio; Fan, Xiaolei; Parlett, Christopher M. A., Palladium-doped hierarchical ZSM-5 for catalytic selective oxidation of allylic and benzylic alcohols, R. Soc. open sci.8211086211086 DOI: http://doi.org/10.1098/rsos.211086

    Nastase, Stefan A. F.; Catlow, C. Richard A.; Logsdail, Andrew J., QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y, Phys. Chem. Chem. Phys., 2021,23, 2088-2096, DOI: https://doi.org/10.1039/D0CP05392A

  • 2020 â–Œ

    C. Richard A. Catlow, Peter Wells and Diego Gianolio, Synchrotron radiation techniques in catalytic science, Phys. Chem. Chem. Phys., 2020,22, 18745-18746, https://doi.org/10.1039/D0CP90186E

    Christopher Hardacre, Andrew M. Beale, Emma K. Gibson, Josephine B. M Goodall, Alex Goguet, Simon A. Kondrat, Grazia Malta, Cristina Stere, Peter P. Wells, Graham J. Hutchings, C. Richard A. Catlow, SYNCHROTRON RADIATION and CATALYTIC SCIENCE, Synchrotron Radiation News, 2020, 33:1, 10-14, https://doi.org/10.1080/08940886.2020.1701368

    Dr. Rosa Arrigo,  Simone Gallarati,  Dr. Manfred E. Schuster,  Jake M. Seymour,  Dr. Diego Gianolio,  Dr. Ivan da Silva,  Dr. June Callison,  Haosheng Feng,  Dr. John E. Proctor,  Dr. Pilar Ferrer,  Dr. Federica Venturini,  Dr. David Grinter,  Prof. Georg Held, Influence of Synthesis Conditions on the Structure of Nickel Nanoparticles and their Reactivity in Selective Asymmetric Hydrogenation, Chem Cat Chem, 2020, https://doi.org/10.1002/cctc.20190195

  • 2019 â–Œ

    Dr. Rosa Arrigo, Simone Gallarati, Dr. Manfred E. Schuster, Jake M. Seymour, Dr. Diego Gianolio, Dr. Ivan da Silva, Dr. June Callison, Haosheng Feng, Dr. John E. Proctor, Dr. Pilar Ferrer, Dr. Federica Venturini, Dr. David Grinter, Prof. Georg Held, Influence of Synthesis Conditions on the Structure of Nickel Nanoparticles and their Reactivity in Selective Asymmetric Hydrogenation, Chem Cat Chem, December 2019, https://doi.org/10.1002/cctc.201901955

    Samuel D. Cosham, Veronica Celorrio, Alexander N. Kulak, Geoffrey Hyett, Observation of visible light activated photocatalytic degradation of stearic acid on thin films of tantalum oxynitride synthesized by aerosol assisted chemical vapour deposition, Dalton Trans., 2019,48, 10619-10627, DOI: 10.1039/C8DT04638G

    Moritz Wolf, Stephen J. Roberts, Wijnand Marquart, Ezra J. Olivier, Niels T. J. Luchters, Emma K. Gibson, C. Richard A. Catlow, Jan. H. Neethling, Nico Fischer and Michael Claeys, Synthesis, characterisation and water–gas shift activity of nano-particulate mixed-metal (Al, Ti) cobalt oxides, Dalton Trans., 2019,48, 13858-13868, DOI: 10.1039/C9DT01634A

    Ruoyu Xu, Liqun Kang, Johannes Knossalla, Jerrik Mielby, Qiming Wang, Bolun Wang, Junrun Feng, Guanjie He, Yudao Qin, Jijia Xie, Ann-Christin Swertz, Qian He, SĂžren KegnĂŠs, Dan J. L. Brett, Ferdi SchĂŒth, Feng Ryan Wang, Nanoporous Carbon: Liquid-Free Synthesis and Geometry-Dependent Catalytic Performance, ACS Nano 2019, 13, 2, 2463-2472, DOI: https://doi.org/10.1021/acsnano.8b09399

    Moritz Wolf, Emma K.Gibson, Ezra J.Olivier, Jan H. Neethling, C. Richard A.Catlow, Nico Fischer, Michael Claeys, In-depth characterisation of metal-support compounds in spent Co/SiO2 Fischer-Tropsch model catalysts, Catalysis Today, 2019, DOI: https://doi.org/10.1016/j.cattod.2019.01.065

    Moritz Wolf, Emma K. Gibson, Ezra J. Olivier, Jan H. Neethling, C. Richard A. Catlow, Nico Fischer, Michael Claeys, Water-Induced Formation of Cobalt-Support Compounds under Simulated High Conversion Fischer–Tropsch Environment, ACS Catal. 2019, 9, 6, 4902-4918, DOI: https://doi.org/10.1021/acscatal.9b00160

    Twigg, Martyn V., Preface for the Issue of Topics in Catalysis Dedicated to the Memory of Professor Frank S. Stone, Topics in Catalysis, 2019, 62, 17-20, 1097-1099, DOI: 10.1007/s11244-019-01204-y

  • 2018 â–Œ

    Robert J. Newland, Alana Smith, David M. Smith, Natalie Fey, Martin J. Hanton and Stephen M. Mansell, Accessing Alkyl- and Alkenylcyclopentanes from Cr-Catalyzed Ethylene Oligomerization Using 2-Phosphinophosphinine Ligands, ORGANOMETALLICS, Volume: 37, Issue: 6, Pages: 1062-1073, Published: MAR 26 2018, DOI: 10.1021/acs.organomet.8b00063

    Goodarzi, Farnoosh; Kang, Liqun; Wang, Feng Ryan; et al., Methanation of Carbon Dioxide over Zeolite-Encapsulated Nickel Nanoparticles, CHEMCATCHEM, Volume: 10, Issue: 7, Pages: 1566-1570, Published: 11 January 2018, DOI: 10.1002/cctc.201701946

    Abouelamaiem, Dina Ibrahim; Rasha, Lara; He, Guanjie; et al., Integration of supercapacitors into printed circuit boards, JOURNAL OF ENERGY STORAGE, Volume: 19, Pages: 28-34, Published: OCT 2018, DOI: 10.1016/j.est.2018.06.016

    Abouelamaiem, Dina Ibrahim; Jose Mostazo-Lopez, Maria; He, Guanjie; et al., New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors, JOURNAL OF ENERGY STORAGE, Volume: 19, Pages: 337-347, Published: OCT 2018, DOI: 10.1016/j.est.2018.08.014

    Zhu, Xuanheng; Gupta, Kalyani; Bersani, Marco; et al., Electrochemical reduction of carbon dioxide on copper-based nanocatalysts using the rotating ring-disc electrode, ELECTROCHIMICA ACTA, Volume: 283, Pages: 1037-1044, Published: SEP 1 2018 DOI: 10.1016/j.electacta.2018.07.025

    Shi, Da, Liu, Jianfang, Sun, Rui, Ji, Shengfu, Rogers, Scott M., Connolly, Bethany M., Dimitratos, Nikolaos, Wheatley, Andrew E.H., Preparation of bifunctional Au-Pd/TiO2 catalysts and research on methanol liquid phase one-step oxidation to methyl formate,Catalysis Today, 2018, Volume: 316, 206-213,DOI: 10.1016/j.cattod.2018.01.033

    Beale, Andrew M., Hardacre, Christopher, Preface for Special Issue in Celebration of the 3rd UK Catalysis Conference (UKCC), Topics in Catalysis, 2018, 61, 3-4, 143-143, DOI: 10.1007/s11244-018-0902-9

    Jin, Dongliang, Li, Liyuan, Ye, Guanghua, Ding, Hongxin, Zhao, Xiaoling, Zhu, Kake, Coppens, Marc-Olivier, Zhou, Xinggui, Manipulating the mesostructure of silicoaluminophosphate SAPO-11 via tumbling-assisted, oriented assembly crystallization: a pathway to enhance selectivity in hydroisomerization, Catalysis Science & Technology, 2018, Volume 8, Issue 19, 5044-5061, DOI: 10.1039/c8cy01483c

  • 2017 â–Œ

    Mora-Fonz, D; Lazauskas, T; Woodley, SM; Bromley, ST; Catlow, CRA; Sokol, AA, Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case, JOURNAL OF PHYSICAL CHEMISTRY C, 2017, Volume: 121, Issue: 31, Pages: 16831-16844, DOI: 10.1021/acs.jpcc.7b04502

    Mansell, S. M., Catalytic applications of small bite-angle diphosphorus ligands with single-atom linkers, DALTON TRANSACTIONS, Volume: 46, Issue: 44, Pages: 15157-15174, Published: 09 Oct 2017, DOI: 10.1039/c7dt03395h

    R. Oord, I. C. ten Have, J. M. Arends, F. C. Hendriks, J. Schmidt, I. Lezcano-Gonzalez, B. M. Weckhuysen, Enhanced activity of desilicated Cu-SSZ-13 for the selective catalytic reduction of NOx and its comparison with steamed Cu-SSZ-13, Catal. Sci. Tech., 7 (2017) 3851.

  • Design â–Œ

    Carvalho, Y.; Almeida, J. M. A. R.; Romano, P. N.; et al., Nanosilicalites as Support for beta-Glucosidases Covalent Immobilization, APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY Volume: 182 Issue: 4 Pages: 1619- 1629

    Su, Ren, Dimitratos, Nikolaos, Liu, Jinjia, Carter, Emma, Althahban, Sultan, Wang, Xueqin, Shen, Yanbin, Wendt, Stefan, Wen, Xiaodong, (Hans) Niemantsverdriet, J. W., Iversen, Bo B., Kiely, Christopher J., Hutchings, Graham J., Besenbacher, Flemming, Mechanistic Insight into the Interaction Between a Titanium Dioxide Photocatalyst and Pd Cocatalyst for Improved Photocatalytic Performance, ACS Catalysis, 6, 7, 4239-4247, Published 2016, DOI: 10.1021/acscatal.6b00982

    Gould, A. L., Heard, C. J., Logsdail, A. J., Catlow, C. Richard A., Segregation effects on the properties of (AuAg)147, Phys. Chem. Chem. Phys., 16, 39, 21049-21061, Published 2014. DOI: 10.1039/c4cp00753k

    Fischer, Nico, Manyar, Haresh G., Roldan, Alberto, Highlights from Faraday Discussion: Designing New Heterogeneous Catalysts, London, UK, April 2016, Chemical Communications, 52, 54, 8335-8341, DOI: 10.1039/c6cc90273a

    Al-Nayili, Abbas, Yakabi, Keiko, Hammond, Ceri, Hierarchically porous BEA stannosilicates as unique catalysts for bulky ketone conversion and continuous operation, Journal of Materials Chemistry A, 2016, 4, 4, 1373-1382, DOI: 10.1039/c5ta08709k

    Padovan, Daniele, Parsons, Charlie, Simplicio Grasina, Manuel, Hammond, Ceri, Intensification and deactivation of Sn-beta investigated in the continuous regime, Green Chemistry, 2016, 18, 18, 5041-5049, DOI: 10.1039/c6gc01288d

  • Transformations â–Œ

    O’Malley, Alexander J.; Parker, Stewart F.; Catlow, C. Richard A., Neutron spectroscopy as a tool in catalytic science, CHEMICAL COMMUNICATIONS Volume: 53 Issue: 90 Pages: 12164-12176 Published: NOV 21 2017

  • Biocatalysis â–Œ

    Potter, Matthew E.; Chapman, Stephanie; O’Malley, Alexander J.; et al. , Understanding the Role of Designed Solid Acid Sites in the Low-Temperature Production of E-Caprolactam, CHEMCATCHEM Volume: 9 Issue: 11 Pages: 1897-1900 Published: JUN 8 2017

    Bouxin, F. P.; Zhang, X.; Kings, I. N.; et al. , Deactivation study of the hydrodeoxygenation of p-methylguaiacol over silica supported rhodium and platinum catalysts, APPLIED CATALYSIS A-GENERAL Volume: 539 Pages: 29-37 Published: JUN 5 2017

  • Energy â–Œ

    Suwardiyanto; Howe, Russell F.; Gibson, Emma K.; et al., An assessment of hydrocarbon species in the methanol-to-hydrocarbon reaction over a ZSM-5 catalyst, FARADAY DISCUSSIONS Volume: 197 Pages: 447-471 Published: APR 1 2017

    Subramanian, Nachal D.; Callison, June; Catlow, C. Richard A.; et al., Optimised hydrogen production by aqueous phase reforming of glycerol on Pt/Al2O3, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY Volume: 41 Issue: 41 Pages: 18441-0

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