Publications

Below a list of publications from Projects funded through the UK Catalysis Hub research 2013 – 2020.

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

Featured Publications

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

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 Brønsted acidic site.  Read more in Chemical Science at https://pubs.rsc.org/en/content/articlelanding/2020/sc/d0sc01924k#!divAbstract

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
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

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

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

Neutron Scattering – Applications in Biology, Chemistry and Materials Science Book

In Collaboration with Johnson Matthey, ISIS Neutron and Muon source and the catalysis community the UK Catalysis Hub spearheaded the publication of a special issue of PCCP on “Neutron scattering in catalysis and energy materials” (Phys Chem Chem Phys 18, 2016) which was edited by UK Catalysis Hub scientists (Silverwood, Parker and Catlow).
Following from this the UK Catalysis Hub has collaborated to publish a book titled, “Neutron Scattering – Applications in Biology, Chemistry and Materials Science”. The book provides an in-depth examination of the applications of neutron scattering in the fields of physics, materials science, chemistry, biology, the earth sciences, and engineering, looking at advances in instrumental, experimental and computational techniques over the past quarter-century. The book includes contributions from Prof. Richard Catlow and Dr Alexander O’Malley. Click here for more details and where to find it.

Modern Development in Catalysis Book

The UK Catalysis Hub collaborated to publish a book titled, “Modern developments in Catalysis”. The book is a series of chapters reviewing on the present state of catalysis research. Chapters focus on the breadth of the field of catalysis including biocatalysis, homogenous and heterogeneous catalysis, operando and in situ techniques, modelling and theoretical studies including life cycle analysis. The book sets out to explain to a reader interested in chemistry, the cutting-edge topics in the important field of catalysis. Click here for more details and where to find it.

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Phase II Research 2019

Core

2020

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

Optimising, Predicting and Designing New Catalysts

2020

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;

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

Catalysis for the Circular Economy and Sustainable Manufacturing

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

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

Catalysis at the Water and Energy Nexus

2020

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

Research 2013 – 2019

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

Biocatalysis

2020

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 β-Lactamases, ACS Catal. 2020, 10, 11, 6188–6196, DOI: https://doi.org/10.1021/acscatal.0c00596;

2019

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 3′-O-β-glucosylated nucleoside fluorometabolites related to nucleocidin in Streptomyces calvus, Chemical Science, 2019, Volume: 10, Issue: 41, 9501-9505, DOI: 10.1039/c9sc03374b

Click on the links for previous years biocatalysis publications: 2018

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Design

2020

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‐Arán, Dr. Rachel E. Fletcher, Dr. Martha Briceno, Dr. Anna B. Kroner, Dr. Igor V. Sazanovich, Prof. Ben Slater, Dr. María E. Rivas, Dr. Andrew W. J. Smith, Dr. Paul Collier, Dr. Inés Lezcano‐González, 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;

2019

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

Alex G. Greenaway, Adrian Marberger, Adam Thetford, Inés Lezcano-González, Miren Agote-Arán, 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-Arán, Inés Lezcano-González, 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-μ-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, Verónica, 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/γ-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;

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

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Energy

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

2019

Juan Carlos Calderón Gómez, Verónica Celorrio, Laura Calvillo, David Sebastián, Rafael Moliner and María Jesús Lázaro 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

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

Iunia Podolean, Octavian D.Pavel, Haresh G.Manyar, S.F. Rebecca Taylor, Kathryn Ralphs, Peter Goodrich, Vasile I.Pârvulescu, 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

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

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Transformations

2020

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

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

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

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Environment

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

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

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Non-Project Publications and Collaborations

• 2020 ▼

  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

• 2019 ▼

  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, Søren Kegnæs, Dan J. L. Brett, Ferdi Schüth, 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 ▼

  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 ▼

  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 ▼

  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 ▼

  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 ▼

  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 ▼

  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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