个人简介

Dean of Mathematical and Physical Sciences Faculty University College London, United Kingdom2007 - 1 Jan 2100 Head of Chemistry Department University College London, United Kingdom2002 - 2007 Director of the Davy Faraday Research Laboratory The Royal Institution, United Kingdom1998 - 2007 Wolfson Professor of Natural Philosophy The Royal Institution, United Kingdom1989 - 2007 Professor of Physical Chemistry University College London, Chemistry, United Kingdom1985 - 1989 Lecturer in Chemistry University College London, United Kingdom1976 - 1985

研究领域

Materials and Inorganic Chemistry

Professor Richard Catlow has worked for over thirty years in the field of computational and experimental studies of complex inorganic materials. His group has pioneered a wide range of applications of computational techniques in solid state chemistry to systems and problems including microporous and oxide catalysts, ionic conductors, electronic ceramics and silicate minerals. This applications programme has been supported by technique and code development, including recent work on embedded cluster methodologies for application to the study of catalytic reactions. The computational work has been firmly linked with experimental studies, using both neutron scattering and synchrotron radiation techniques, where the Royal Institute group has also made notable contributions to development as well as application studies. Professor Catlow's research has led to over 1080 publications, and in 2004 he was elected to Fellowship of the Royal Society for 'pioneering the development and application of computer modeling in solid state and materials chemistry. He is currently Professor of Computational and Materials Chemistry and Foreign Secretary and Vice President of the Royal Society.

近期论文

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Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria. Zhang X, Blackman C, Palgrave RG, Ashraf S, Dey A, Blunt MO, Zhang X, Liu T, Sun S, Zhu L, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA. 10.1021/JACS.4C05053 Multiscale Investigation of the Mechanism and Selectivity of CO₂ Hydrogenation over Rh(111) Sun S, Higham MD, Zhang X, Catlow CRA. 10.1021/ACSCATAL.3C05939 Exploring the length scales, timescales and chemistry of challenging materials (Part 2) Wilding MC, Sella A, Howard CA, Sobrido AJ, Catlow CRA. 10.1098/RSTA.2023.0175 Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations Matam SK, Silverwood IP, Boudjema L, O'Malley AJ, Catlow CRA. 10.1098/RSTA.2022.0335 Exploring the length scales, timescales and chemistry of challenging materials (Part 1) Wilding MC, Sella A, Howard CA, Jorge Sobrido A, Catlow CRA. 10.1098/RSTA.2022.0353 Investigation of the Pd(1−x)Znx alloy phase diagram using ab initio modelling approaches Kabalan L, Kowalec I, Rigamonti S, Troppenz M, Draxl C, Catlow CRA, Logsdail AJ. 10.1088/1361-648X/ACE01A Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides Zhang X, Liu T, Zhu L, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA. 10.1002/ANGE.202308411 Enhanced production and control of liquid alkanes in the hydrogenolysis of polypropylene over shaped Ru/CeO₂ catalysts Tomer A, Islam MM, Bahri M, Inns DR, Manning TD, Claridge JB, Browning ND, Catlow CRA, Roldan A, Katsoulidis AP, Rosseinsky MJ. 10.1016/J.APCATA.2023.119431 A Comparison of the Reactivity of the Lattice Nitrogen in Tungsten Substituted Co3Mo3N and Ni2Mo3N Al Sobhi S, AlShibane I, Catlow CRA, Daisley A, Hargreaves J, Hector A, Higham M, Zeinalipour-Yazdi C. 10.1002/CSSC.202300945 Computational investigation of the structures and energies of microporous materials Stacey E, Quesne MG, Catlow CRA 10.1016/J.MICROMESO.2022.112382 Overcoming the compensation of acceptors in GaN:Mg by defect complex formation Xie Z, Buckeridge J, Catlow CRA, Zhang A, Keal TW, Sherwood P, Lu Y, Woodley SM, Sokol AA. 10.1063/5.0148858 Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides Zhang X, Liu T, Zhu L, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow R, Sokol AA. 10.1002/ANIE.202308411 Computational modelling in catalytic science Catlow CRA, Chutia A, Quesne MG 10.1039/D3CP90127K Electrocatalytic and photocatalytic routes to N₂ activation: general discussion Biswas S, Brinkert K, Catlow RAA, Chen H-YT, El-Kadi J, Fagiolari L, Gao W, Gupta D, Hargreaves JSJ, Hatzell MCC, Holland PL, Hosono H, Irvine JTS, Isaacs M, Kobayashi Y, Liedtke L, Lozano-Roche A, MacFarlane D, Mangini A, McPherson IJJ, Mishra V, Ntola P, Otomo S, Peters JCC, Risch M, Rizzato L, Safeer MNK, Shylin SII, Sievers C, Sinha V, Stephens IEL, Sudmeier T, Tian F, Vincent KAA, Wang Q, Wang Y, Westhead O, Yusuf L, Zuliani G. 10.1039/D3FD90007J Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems Guan J, Lu Y, Sen K, Abdul Nasir J, Desmoutier AW, Hou Q, Zhang X, Logsdail AJ, Dutta G, Beale AM, Strange RW, Yong C, Sherwood P, Senn HM, Catlow CRA, Keal TW, Sokol AA. 10.1098/RSTA.2022.0234 Supercomputing modelling of advanced materials: preface Catlow CRA, De Leeuw NH, Michaelides A, Woodley SM. 10.1098/RSTA.2022.0252 Alternative routes to NH₃ and its application: general discussion Catlow CRA, El-Kadi J, Guan Y, Hargreaves JSJ, Holland PL, Hosono H, Isaacs M, Kaur M, Kobayashi Y, MacFarlane DR, Mishra V, Ntola P, Safeer NKM, Shylin SI, Siahrostami S, Sievers C, Singh DL, Murciano LT, Tort R, Tsang SCE, Uner D, Vincent KA, Wang Q, Yusuf L 10.1039/D3FD90009F Heterogeneous catalytic and chemical looping routes to N₂ activation: general discussion Ghaida FA, Brinkert K, Cai Y, Catlow CRA, Chen H-YT, Chen P, Dacquin J-P, Daisley A, El-Kadi J, Gao W, Guo J, Hargreaves JSJ, Higham MD, Holland PL, Hosono H, Irvine GJ, Irvine JTS, Kaur M, Kobayashi Y, Laassiri S, Liedtke L, MacFarlane DRR, Makepeace J, McPherson IJJ, Mishra V, Ntola P, Otomo S, Peters JCC, Sekine Y, Shi Z, Sievers C, Stephens IEL, Sudmeier T, Murciano LT, Uner D, Wang Q, Wang Y, Westhead O, Yusuf L, Zeng X. 10.1039/D3FD90010J Homogeneous N₂ activation: general discussion Ashley A, Brinkert K, Catlow CRA, Chen P, Ghaida FA, Hargreaves JSJ, Holland PL, Hosono H, Isaacs M, Lozano-Roche A, MacFarlane D, Ntola P, Peters JC, Pickett CJ, Shi Z, Singh DL, Sinha V, Uner D, Vincent KA, Wang Y, Wang Q, Zeng X. 10.1039/D3FD90008H Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach Zhu L, Catlow CRA, Hou Q, Zhang X, Buckeridge J, Sokol AA. 10.1039/D2TA09503C Interfacial Chemistry in the Electrocatalytic Hydrogenation of CO_{2} over C-Supported Cu-Based Systems Gianolio D, Higham MD, Quesne MG, Aramini M, Xu R, Large AI, Held G, Velasco-Vélez JJ, Haevecker M, Knop-Gericke A, Genovese C, Ampelli C, Schuster ME, Perathoner S, Centi G, Catlow CRA, Arrigo R. 10.1021/ACSCATAL.3C01288 Catalysis Hub special collection: editorial 3 May 2023ROYAL SOCIETY OPEN SCIENCE10(5):3 pagesROYAL SOC 10.1098/RSOS.230484 Multiscale QM/MM modelling of catalytic systems with ChemShell Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW. 10.1039/D3CP00648D Cd/Pt Precursor Solution for Solar H-2 Production and in situ Photochemical Synthesis of Pt Single-atom Decorated CdS Nanoparticles Sharma P, Sharma M, Dearg M, Wilding M, Slater TJA, Catlow CRA. 10.1002/ANIE.202301239 Crystal structure prediction: achievements and opportunities Catlow CRA 10.1107/S2052252523001835 The effect of dissolved chlorides on the photocatalytic degradation properties of titania in wastewater treatment Delarmelina M, Dlamini MW, Pattisson S, Davies PR, Hutchings GJ, Catlow CRA. 10.1039/D2CP03140J Advances in Modelling Reaction Mechanisms: Bridging the Gap Between Homogeneous and Heterogeneous Catalysis Quesne MG, Higham MD, Catlow R 10.1142/9781800612013_0009 Dynamics and Reactivity of Methanol in Zeolite H-ZSM-5 Matam SK, O’Malley AJ, Silverwood I, Catlow R. 10.1142/9781800612013_0006 Insights into Methanol-to- Hydrocarbon Catalysis over ZSM-5 and SAPO-34 from Operando Synchrotron Infrared Microspectroscopy Minova IB, Matam SK, Frogley MD, Cinque G, Catlow R, Wright PA, Howe RF. 10.1142/9781800612013_0011 MODERN DEVELOPMENTS IN CATALYSIS: Volume 2 Hutchings G, Davidson M, Catlow R, Hardacre C, Turner N, Williams C, Mulholland A, Goodall J, Mitchell C. 10.1142/Q0354 Non-Thermal Plasma-Assisted Catalysis for Carbon Neutrality Xu S, Fan X, Chen H, Hardacre C, Catlow R. 10.1142/9781800612013_0003 Orbital selective hole- and hole-pair formation and Bose condensation in high-temperature superconductors Edwards PP, Pyper NC, Jie X, Slocombe DR, Catlow CRA, Islam MS, Dobson PJ. 10.1016/J.JSSC.2022.123529 Periodic Density Functional Theory Approaches for Exploring Metal Oxides in Catalysis Delarmelina M, Catlow R 10.1142/9781800612013_0010 Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite Abdul Nasir J, Guan J, Keal TW, Desmoutier AW, Lu Y, Beale AM, Catlow CRA, Sokol AA. 10.1021/JACS.2C09823 Toward a Consistent Prediction of Defect Chemistry in CeO2 Zhang X, Zhu L, Hou Q, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA. 10.1021/ACS.CHEMMATER.2C03019 Experimental and theoretical investigations on the anti-perovskite nitrides Co3CuN, Ni3CuN and Co3MoN for ammonia synthesis Daisley A, Higham M, Catlow CRA, Hargreaves JSJ. 10.1039/D2FD00151A Mechanism of ammonia synthesis on Fe3Mo3N Higham MD, Zeinalipour-Yazdi CD, Hargreaves JSJ, Catlow CRA. 10.1039/D2FD00148A Designed TiS2 nanosheets for efficient electrocatalytic reductive amination of biomass-derived furfurals Zhang M, Xu S, Boubeche M, Decarolis D, Huang Y, Liu B, Gibson EK, Li X, Wang Y, Luo H, Catlow CRA, Yan K. 10.1039/D2GC03234A Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis Ortiz-Roldan JM, Balestra SRG, Bueno-Perez R, Calero S, Garcia-Perez E, Catlow CRA, Ruiz-Salvador AR, Hamad S. 10.1098/RSPA.2022.0201 DFT Insights into the use of Self-Assembled Molecular Monolayers to investigate optoelectronic properties of a Au picocavity using Surface-Enhanced Raman Spectroscopy Higham MD, Foldes T, Rosta E, Catlow CRA. VIEW MORE INFO Methanol synthesis from CO₂ and H₂ using supported Pd alloy catalysts Lawes N, Gow IE, Smith LR, Aggett KJ, Hayward JS, Kabalan L, Logsdail AJ, Slater TJA, Dearg M, Morgan DJ, Dummer NF, Taylor SH, Bowker M, Catlow CRA, Hutchings GJ. 10.1039/D2FD00119E Insight into the Fergusonite–Scheelite Phase Transition of ABO₄-Type Oxides by Density Functional Theory: A Case Study of the Subtleties of the Ground State of BiVO₄ Liu T, Zhang X, Guan J, Catlow CRA, Walsh A, Sokol AA, Buckeridge J. 10.1021/ACS.CHEMMATER.1C04417 Enhanced H₂O₂ Production via Photocatalytic O₂ Reduction over Structurally-Modified Poly(heptazine imide) Sharma P, Slater TJA, Sharma M, Bowker M, Catlow CRA. 10.1021/ACS.CHEMMATER.2C00528 The Critical Role of ?PdZn Alloy in Pd/ZnO Catalysts for the Hydrogenation of Carbon Dioxide to Methanol Bowker M, Lawes N, Gow I, Hayward J, Esquius JR, Richards N, Smith LR, Slater TJA, Davies TE, Dummer NF, Kabalan L, Logsdail A, Catlow RC, Taylor S, Hutchings GJ. 10.1021/ACSCATAL.2C00552 A computational study of direct CO₂ hydrogenation to methanol on Pd surfaces Kowalec I, Kabalan L, Catlow CRA, Logsdail AJ. 10.1039/D2CP01019D Preface to 'Developing resilient energy systems' Catlow CRA, Henry L, Ngila C, Taylor M. 10.1098/RSTA.2021.0131 A Workflow Demonstrator for Processing Catalysis Research Data de la Hidalga AN, Decarolis D, Xu S, Matam S, Enciso WYH, Goodall J, Matthews B, Catlow CRA. 10.1162/DINT_A_00143 Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study Silveri F, Quesne MG, Viñes F, Illas F, Catlow CRA, de Leeuw NH. 10.1021/ACS.JPCC.1C10180 A comparative study on the stability of the furfural molecule on the low index Ni, Pd and Pt surfaces Khan AZ, Alitt J, Germaney R, Hamada I, Wells PP, Dimitratos N, Catlow CRA, Villa A, Chutia A. 10.1098/RSOS.211516 Heterogeneous Trimetallic Nanoparticles as Catalysts Crawley JWM, Gow IE, Lawes N, Kowalec I, Kabalan L, Catlow CRA, Logsdail AJ, Taylor SH, Dummer NF, Hutchings GJ. 10.1021/ACS.CHEMREV.1C00493