Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles
Callison, J., Subramanian, N.D., Rogers, S.M., Chutia, A., Gianolio, D., Catlow, C.R.A., Wells, P.P., Dimitratos, N.
Published in Applied catalysis. B, Environmental (15.12.2018)
Published in Applied catalysis. B, Environmental (15.12.2018)
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Journal Article
Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds
Buckeridge, J., Scanlon, D.O., Walsh, A., Catlow, C.R.A.
Published in Computer physics communications (01.01.2014)
Published in Computer physics communications (01.01.2014)
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Journal Article
Computational approaches to the determination of active site structures and reaction mechanisms in heterogeneous catalysts
Catlow, C.R.A, French, S.A, Sokol, A.A, Thomas, J.M
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (15.04.2005)
Published in Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences (15.04.2005)
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Journal Article
Comparison of the Bulk and Surface Properties of Ceria and Zirconia by ab Initio Investigations
Gennard, Steve, Corà, Furio, Catlow, C. Richard A
Published in The journal of physical chemistry. B (18.11.1999)
Published in The journal of physical chemistry. B (18.11.1999)
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Journal Article
Molecular dynamics simulation of temperature-induced structural changes in cristobalite, coesite and amorphous silica
Takada, Akira, Richet, P., Catlow, C.R.A., Price, G.D.
Published in Journal of non-crystalline solids (15.01.2008)
Published in Journal of non-crystalline solids (15.01.2008)
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Journal Article
Conference Proceeding
Probing the dynamics and structure of confined benzene in MCM-41 based catalysts
Dervin, Daniel, O'Malley, A. J, Falkowska, Marta, Chansai, Sarayute, Silverwood, Ian P, Hardacre, Christopher, Catlow, C. R. A
Published in Physical chemistry chemical physics : PCCP (28.05.2020)
Published in Physical chemistry chemical physics : PCCP (28.05.2020)
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Journal Article
Computer simulation of ionically conducting polymers
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Journal Article
Conference Proceeding
Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study
O'Malley, A. J, Sarwar, M, Armstrong, J, Catlow, C. R. A, Silverwood, I. P, York, A. P. E, Hitchcock, I
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Journal Article
The reactivity of CO2 on the MgO(100) surface
Downing, C. A, Sokol, A. A, Catlow, C. R. A
Published in Physical chemistry chemical physics : PCCP (07.01.2014)
Published in Physical chemistry chemical physics : PCCP (07.01.2014)
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Journal Article
Computer simulation study of the defect chemistry of rutile TiO2
SAYLE, D. C, CATLOW, C. R. A, PERRIN, M.-A, NORTIER, P
Published in The Journal of physics and chemistry of solids (01.06.1995)
Published in The Journal of physics and chemistry of solids (01.06.1995)
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Journal Article
Computer simulations of water interactions with low-coordinated forsterite surface sites: Implications for the origin of water in the inner solar system
King, H.E., Stimpfl, M., Deymier, P., Drake, M.J., Catlow, C.R.A., Putnis, A., de Leeuw, N.H.
Published in Earth and planetary science letters (15.11.2010)
Published in Earth and planetary science letters (15.11.2010)
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Journal Article
Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions
Venezia, B., Cao, E., Matam, S. K., Waldron, C., Cibin, G., Gibson, E. K., Golunski, S., Wells, P. P., Silverwood, I., Catlow, C. R. A., Sankar, G., Gavriilidis, A.
Published in Catalysis science & technology (07.12.2020)
Published in Catalysis science & technology (07.12.2020)
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Journal Article
Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts
O'Malley, Alexander J, Logsdail, A. J, Sokol, A. A, Catlow, C. R. A
Published in Faraday discussions (01.01.2016)
Published in Faraday discussions (01.01.2016)
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Journal Article