Below a list of publications from Projects funded through the UK Catalysis Hub research 2013 – 2019.

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

Featured Publications

Modern Developments in catalysis book cover imageModern 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.

Neutrons book cover imageNeutron 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.

Scheme 1 diagram

Scheme 1 Proposed polymerisation pathway whereby the di-zinc catalyst bridges two catalytic cycles: LLAOCA ROP and CO2/CHO ROCOP. Where [Zn] represents [LZn2(OAc)2] during catalysis; R = initiating group and P = growing polymer chain. Published in Chem. Commun., 2019,55, 7315-7318

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 of the University of Oxford who was supervised by Professor Charlotte Williams. Many UK Catalysis Hub researchers and professors were involved.

Authors included:

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

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.

Read more about the article.

Phase II Research 2019

Optimising, Predicting and Designing New Catalysts

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:

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,

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

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

Research 2013 – 2019

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


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,

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,

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:


Limb MAL, Suardiaz R, Grant IM, Mulholland AJ, QM/MM Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg-White Lysozyme, Chemistry, Oct 2018, DOI: 10.1002/chem.201805250

Mitchell, SA; Truscott, F; Dickman, R; Ward, J; Tabor, AB, Simplified lipid II-binding antimicrobial peptides: Design, synthesis and antimicrobial activity of bioconjugates of nisin rings A and B with pore-forming peptides, BIOORGANIC & MEDICINAL CHEMISTRY, Volume 26, Issue 21, 15 November 2018, Pages 5691-5700, DOI:

Doble, MV; Jarvis, AG; Ward, ACC; Colburn, JD; Gotze, JP; Buhl, M; Kamer, PCJ, Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation, ACS SUSTAINABLE CHEMISTRY & ENGINEERING, Oct 2018, 6 (11), pp 15100–15107, DOI: 10.1021/acssuschemeng.8b03568

Gomm, A; Grigoriou, S; Peel, C; Ryan, J; Mujtaba, N; Clarke, T; Kulcinskaja, E; O’Reilly, E, Application of “Smart” Amine Donors for Rapid Screening and Scale‐Up of Transaminase‐Mediated Biotransformations, EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Volume 2018, Issue38, October 17, 2018, Pages 5282-5284, DOI:

Lence, E; van der Kamp, MW; Gonzalez-Bello, C; Mulholland, AJ, QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes, ORGANIC & BIOMOLECULAR CHEMISTRY, 2018,16, 4443-4455, DOI: 10.1039/C8OB00066B

Tang, XP; Demiray, M; Wirth, T; Allemann, RK, Concise synthesis of artemisinin from a farnesyl diphosphate analogue, BIOORGANIC & MEDICINAL CHEMISTRY, Volume 26, Issue 7, 1 April 2018, Pages 1314-1319, DOI:

Hanan L. Messiha, Syed T. Ahmed, Vijaykumar Karuppiah, Reynier Suardíaz, Gabriel A. Ascue Avalos, Natalie Fey, Stephen Yeates, Helen S. Toogood, Adrian J. Mulholland, and Nigel S. Scrutton, Biocatalytic Routes to Lactone Monomers for Polymer Production, BIOCHEMISTRY, Volume: 57, Issue: 13, Pages: 1997-2008, Published: March 13, 2018, DOI: 10.1021/acs.biochem.8b00169

Acevedo-Rocha, CG; Gamble, CG; Lonsdale, R; Li, AT; Nett, N; Hoebenreich, S; Lingnau, JB; Wirtz, C; Fares, C; Hinrichs, H; Deege, A; Mulholland, AJ; Nov, Y; Leys, D; McLean, KJ; Munro, AW; Reetz, MT, P450-Catalyzed Regio- and Diastereoselective Steroid Hydroxylation: Efficient Directed Evolution Enabled by Mutability Landscaping, ACS CATALYSIS, 2018, 843395-3410, DOI: 10.1021/acscatal.8b00389

Toogood, HS; Scrutton, NS, Discovery, Characterization, Engineering, and Applications of Ene-Reductases for Industrial Biocatalysis, ACS CATALYSIS, 2018,  843532-3549, DOI: 10.1021/acscatal.8b00624

Moritz Pott, Takahiro Hayashi, Takahiro Mori, Peer R. E. Mittl, Anthony P. Green and Donald Hilvert, A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Volume: 140, Issue: 4, Pages: 1535-1543, Published: JAN 31 2018, DOI: 10.1021/jacs.7b12621

Marcin Odachowski, Michael F. Greaney, and Nicholas J. Turner, Concurrent Biocatalytic Oxidation and C–C Bond Formation via Gold Catalysis: One-Pot Alkynylation of N-Alkyl Tetrahydroisoquinolines, ACS Catal., 2018, 8, pp 10032–10035, DOI: 10.1021/acscatal.8b03169

Click on the links for previous years biocatalysis publications: 2017

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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),

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:

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:

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,

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,

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

Michael Bowker, Methanol Synthesis from CO2 Hydrogenation, Chem Cat Chem, Volume 11, Issue 17, September 5, 2019, Pages 4238-4246, DOI:


Alexander P. Hawkins, Alexander J. O’Malley, Andrea Zachariou, Paul Collier, Russell A. Ewings, Ian P. Silverwood, Russell F. Howe, Stewart F. Parker, David Lennon, Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering, J. Phys. Chem. C2019, 123, 1, 417-425, December 2018,

Callison, J; Subramanian, ND; Rogers, SM; Chutia, A; Gianolio, D; Catlow, CRA; Wells, PP; Dimitratos, N, Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles, Applied Catalysis B: Environmental, Volume 238, 15 December 2018, Pages 618-628, DOI:

Matam, SK; Howe, RF; Thetford, A; Catlow, CRA, Room temperature methoxylation in zeolite H-ZSM-5: an operando DRIFTS/mass spectrometric study, CHEMICAL COMMUNICATIONS, 2018,54, 12875-12878, DOI:  10.1039/C8CC07444E

Malta, G; Kondrat, SA; Freakley, SJ; Davies, CJ; Dawson, S; Liu, X; Lu, L; Dymkowski, K; Fernandez-Alonso, F; Mukhopadhyay, S; Gibson, EK; Wells, PP; Parker, SF; Kiely, CJ; Hutchings, GJ, Deactivation of a Single-Site Gold-on-Carbon Acetylene Hydrochlorination Catalyst: An X-ray Absorption and Inelastic Neutron Scattering Study, ACS CATALYSIS, 2018,  898493-8505, DOI: 10.1021/acscatal.8b02232

Matam, SK; O’Malley, AJ; Catlow, CRA; Suwardiyanto; Collier, P; Hawkins, AP; Zachariou, A; Lennon, D; Silverwood, I; Parker, SF; Howe, RF, The effects of MTG catalysis on methanol mobility in ZSM-5, CATALYSIS SCIENCE & TECHNOLOGY, 2018,8, 3304-3312 , DOI:  10.1039/C8CY00422F

Genovese, Chiara; Schuster, Manfred E.; Gibson, Emma K.; et al., Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon, NATURE COMMUNICATIONS Volume: 9, Article Number: 935, Published: MAR 5 2018, DOI: 10.1038/s41467-018-03138-7

A. J. O’Malley, M. Sarwar, J. Armstrong, C. R. A. Catlow, I. P. Silverwood, A. P. E. York and I. Hitchcock, Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study, Phys. Chem. Chem. Phys., 2018,20, 11976-11986, DOI: 10.1039/c8cp01022f

Locke, Edward; Jiang, Shan; Beaumont, Simon K., Catalysis of the Oxygen Evolution Reaction by 4-10 nm Cobalt Nanoparticles, TOPICS IN CATALYSIS, Volume: 61, Issue: 9-11, Special Issue: SI, Pages: 977-985 Published: JUN 2018, DOI: 10.1007/s11244-018-0923-4

M. Agote-Arán, A. Kroner, H. Islam, W. Slawinski, D. Wragg, I. Lezcano-Gonzalez, A. M Beale, Determination of Molybdenum Species Evolution during Non-Oxidative Dehydroaromatization of Methane and its Implications for Catalytic Performance, ChemCatChem, In Press 2018, DOI. 10.1002/cctc.201801299

I. P. Silverwood, M. Agote Arán, I. Lezcano González, A. Kroner, A. M. Beale, QENS study of methane diffusion in Mo/H-ZSM-5 used for the methane dehydroaromatisation reaction, AIP Conf. Proc., May 2018,1969 (2018), 030002,

M. Počkaj, A. Meden, N. Z. Logar, M. Rangus, G. Mali, I. Lezcano-Gonzalez, A. M. Beale, A. Golobič, Structural investigations in pure-silica and Al-ZSM-12 with MTEA or TEA cations, Microporous Mesoporous Mater., 263 (2018) 236,

A. G. Greenaway, I. Lezcano-Gonzalez, M. Agote-Aran, E. K. Gibson, Y. Odarchenko, A. M. Beale, Operando Spectroscopic Studies of Cu–SSZ-13 for NH3–SCR deNOx Investigate the Role of NH3 in Observed Cu(II) Reduction at High NO Conversions, Top. Catal., 61 (2018) 175,

D. Decarolis, I. Lezcano-Gonzalez, D. Gianolio, A. M. Beale, Effect of Particle Size and Support Type on Pd Catalysts for 1, 3-Butadiene Hydrogenation, Top. Catal., 61 (2018) 162,

M.J. Lawrence, V. Celorrio, X. Shi, Q. Wang, A. Yanson, N.J.E. Adkins, M. Gu, J. Rodríguez-López, P. Rodriguez, Electrochemical Synthesis of High Surface Area Mixed Metal Oxides and Their Photoelectrochemical Activity Towards the Oxygen Evolution Reaction, ACS Applied Energy Materials (2018), 10.1021/acsaem.8b00873.

V. Celorrio, L. Calvillo, C. van den Bosch, G. Granozzi, A. Aguadero, A. Russell, D.J. Fermín, Intrinsic Activity of Single Mn Sites at LaMnO3 towards the Oxygen Reduction Reaction, ChemElectroChem (2018), DOI: 10.1002/celc.201800729

L. Calvillo, F. Carraro, O. Vozniuk, V. Celorrio, L. Nodari, A.E. Russell, R. Brescia, D.J. Fermin, F. Cavani, S. Agnoli, G. Granozzi, Insights into the Co-Fe spinels durability during the oxygen evolution reaction by following in situ transformations, Journal of Materials Chemistry A 6 (2018) 7034-7041, DOI: 10.1039/C7TA10892C.

G.P. A. Gobaille-Shaw, V. Celorrio, L. Calvillo, L.J. Morris, G. Granozzi, D.J. Fermin, Effect of Ba oxygen reduction reaction. Effect of Ba content on the activity of La1-xBaxMnO3 towards the oxygen reduction reaction. ChemElectroChem 5 (2018) 1922-1927,

H. Huang, A.B.A. Nassr, V. Celorrio, S.F.R. Taylor, V. Kumar Puthiyapura, C. Hardacre, D.J. L. Brett, A.E. Russell, Effects of heat treatment atmosphere on the structure and activity of Pt3Sn nanoparticle electrocatalysts: a characterisation case study, Faraday Discussions (2018), DOI: 10.1039/C7FD00221A

Guan, S; Davies, PR; Gibson, EK; Lennon, D; Rossi, GE; Winfield, JM; Callison, J; Wells, PP; Willock, DJ, Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene, FARADAY DISCUSSIONS, 2018,208, 67-85, DOI: 10.1039/C8FD00005K

Chutia, A; Willock, DJ; Catlow, CRA, The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects, FARADAY DISCUSSIONS, 2018,208, 123-145, DOI:  10.1039/C8FD00002F

V. Celorrio, L. Calvillo, G. Granozzi, A.E. Russell, D.J. Fermin, AMnO3 (A = Sr, La, Ca, Y) Perovskite oxides as oxygen reduction electrocatalysts, Topics in Catalysis 61 (2018) 154-161,

S. A. F. Nastase a, A. J. O’Malley bc, C. R. A. Catlow ORCID logoabd and A. J. Logsdail, Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5, Phys. Chem. Chem. Phys., 2019, 21, 2639-2650, DOI: 10.1039/C8CP06736H.

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

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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;

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:

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:

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,


Octavian D. Pavel, Lunia Podolean, Vasile I. Parvulescu, S. F. Rebecca Taylor, Haresh G. Manyar, Kathryn Ralphs, Peter Goodrich and Christopher Hardacre, Impact of SCILL catalysts for the S-S coupling of thiols to disulfides, Faraday Discussions 2018, FARADAY DISCUSSIONS, Volume: 206, Pages: 535-547, Published: JAN 1 2018, DOI: 10.1039/c7fd00159b

Dr. Michelle P. Browne, Dr. Christopher O’Rourke, Dr. Nathan Wells, Prof. Andrew Mills, Adams Method Prepared Metal Oxide Catalysts for Solar-Driven Water Splitting, CHEMPHOTOCHEM, Volume: 2, Issue: 3, Pages: 293-299, Published: 3 January 2018, DOI: 10.1002/cptc.201700210

Julia Kennedy, Hasliza Bahruji, Michael Bowker, Philip R.Davies, Emir Bouleghlimat, Sudarat Issarapanacheewin, Hydrogen generation by photocatalytic reforming of potential biofuels: Polyols, cyclic alcohols, and saccharides, JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Volume: 356, Pages: 451-456, Published: APR 1 2018, DOI: 10.1016/j.jphotochem.2018.01.031

Dr. Marta Falkowska, Dr. Daniel T. Bowron, Dr. Haresh Manyar, Dr. Tristan G. A. Youngs, Prof. Christopher Hardacre, Confinement Effects on the Benzene Orientational Structure, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Volume: 57, Issue: 17, Pages: 4565-4570, Published: 15 February 2018, DOI: 10.1002/anie.201713115

Chen, Chang-Hui; Halford, Adam; Walker, Marc ; Brennan, Colin; Lai, Stanley C. S.; Fermin, David J.; Unwin, Patrick ; Rodriguez, Paramaconi., Electrochemical characterization and regeneration of sulfur poisoned Pt catalysts in aqueous media, JOURNAL OF ELECTROANALYTICAL CHEMISTRY, Volume: 816, Pages: 138-148, Published: MAY 1 2018, DOI: 10.1016/j.jelechem.2018.03.015

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

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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,

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:

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:


Liu, DQ; Chen, CH; Perry, D; West, G; Cobb, SJ; Macpherson, JV; Unwin, PR, Facet-Resolved Electrochemistry of Polycrystalline Boron-Doped Diamond Electrodes: Microscopic Factors Determining the Solvent Window in Aqueous Potassium Chloride Solutions, CHEMELECTROCHEM, Special Issue: Single‐Entity Electrochemistry, Volume5, Issue20, October 12, 2018, Pages 3028-3035, DOI:

Thevenon, Arnaud; Cyriac, Anish; Myers, Dominic; et al,. Indium Catalysts for Low-Pressure CO2/Epoxide Ring-Opening Copolymerization: Evidence for a Mononuclear Mechanism? JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Volume: 140, Issue: 22, Pages: 6893-6903, Published: JUN 6 2018, DOI: 10.1021/jacs.8b01920

Min Yang, Charlie Fehl, Karen V. Lees, Eng-Kiat Lim, Wendy A. Offen, Gideon J. Davies, Dianna J. Bowles, Matthew G. Davidson, Stephen J. Roberts & Benjamin G. Davis, Functional and informatics analysis enables glycosyltransferase activity prediction, Nature Chemical Biology, volume 14, pages1109–1117 (2018), Published: November 2018, DOI:

Stoesser, Tim; Williams, Charlotte K., Selective Polymerization Catalysis from Monomer Mixtures: Using a Commercial Cr-Salen Catalyst To Access ABA Block Polyesters, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Volume: 57, Issue: 21, Pages: 6337-6341, Published: MAY 22 2018, DOI: 10.1002/anie.201801400

Chen, CH; Brennan, C; Lai, SCS; Fermin, DJ; Unwin, PR; Rodriguez, P, Adsorption and Electrochemical Oxidation of Small Sulfur−Containing Anions on Pt Electrodes in Organic Media, CHEMELECTROCHEM, Volume 5, Issue16, August 9, 2018, Pages 2228-2234, DOI:

Grigoropoulos, Alexios; Mckay, Alasdair I.; Katsoulidis, Alexandros P.; et al., Encapsulation of Crabtree’s Catalyst in Sulfonated MIL-101(Cr): Enhancement of Stability and Selectivity between Competing Reaction Pathways by the MOF Chemical Microenvironment, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Volume: 57, Issue: 17, Pages: 4532-4537, Published: APR 16 2018, DOI: 10.1002/anie.201710091

Stosser, T.; Chen, T. T. D.; Zhu, Y.; et al., PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, Volume: 376, Issue: 2110, Article Number: 20170066, Published: JAN 13 2018

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

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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,


Davies, C; Thompson, K; Cooper, A; Golunski, S; Taylor, SH; Macias, MB; Doustdar, O; Tsolakis, A, Simultaneous removal of NOx and soot particulate from diesel exhaust by in-situ catalytic generation and utilisation of N2O, APPLIED CATALYSIS B-ENVIRONMENTAL, Volume 239, 30 December 2018, Pages 10-15, DOI:

Hasliza Bahruji, Robert D. Armstrong, Jonathan Ruiz Esquius, Wilm Jones, Michael Bowker and Graham J. Hutchings, Hydrogenation of CO2 to Dimethyl Ether over Bronsted Acidic PdZn Catalysts, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Volume: 57, Issue: 20, Pages: 6821-6829, Published: MAY 23 2018, DOI: 10.1021/acs.iecr.8b00230

Kennedy, J; Bahruji, H; Bowker, M; Davies, PR; Bouleghlimat, E; Issarapanacheewin, S, Hydrogen generation by photocatalytic reforming of potential biofuels: Polyols, cyclic alcohols, and saccharides, JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, Volume 356, 1 April 2018, Pages 451-456, DOI:

Bowden, B; Davies, M; Davies, PR; Guan, S; Morgan, DJ; Roberts, V; Wotton, D, The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups, FARADAY DISCUSSIONS, 2018,208, 455-470, DOI:  10.1039/C7FD00210F

Fu, JL; He, Q; Miedziak, PJ; Brett, GL; Huang, XY; Pattisson, S; Douthwaite, M; Hutchings, GJ, The Role of Mg(OH)2 in the So‐Called “Base‐Free” Oxidation of Glycerol with AuPd Catalysts, CHEMISTRY-A EUROPEAN JOURNAL, Volume 24, Issue 10, February 16, 2018, Pages 2396-2402,

Book chapter: P.J. Deuss, M. V. Doble, A. G. Jarvis, and P.C.J. Kamer, Chapter 10: Hybrid Catalysts for other C-C and C-X bond formation reactions. Artificial metalloenzymes and metalloDNAzymes in catalysis. From design to application. Wiley, February 2018, ISBN: 978-3-527-80409-2.

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


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Non-Project Publications and Collaborations
  • 2019 ▼

    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:

    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:

    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:

  • 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

  • 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

  • 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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