Band alignment of rutile and anatase TiO2 DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
2497 2013 Crystal structure prediction from first principles SM Woodley, R Catlow
Nature materials 7 (12), 937-946, 2008
793 2008 First blind test of inorganic crystal structure prediction methods. AR Oganov, JC Schön, M Jansen, SM Woodley, WW Tipton, RG Hennig
WILEY-VCH, 2011
470 * 2011 The prediction of inorganic crystal structures using a genetic algorithm and energy minimisation SM Woodley, PD Battle, JD Gale, CRA Catlow
Physical Chemistry Chemical Physics 1 (10), 2535-2542, 1999
435 1999 Structure and stability of small TiO2 nanoparticles S Hamad, CRA Catlow, SM Woodley, S Lago, JA Mejias
The Journal of Physical Chemistry B 109 (33), 15741-15748, 2005
286 2005 Modelling nano-clusters and nucleation CRA Catlow, ST Bromley, S Hamad, M Mora-Fonz, AA Sokol, ...
Physical Chemistry Chemical Physics 12 (4), 786-811, 2010
215 2010 Why are polar surfaces of ZnO stable? D Mora-Fonz, T Lazauskas, MR Farrow, CRA Catlow, SM Woodley, ...
Chemistry of Materials 29 (12), 5306-5320, 2017
163 2017 Advances in computational studies of energy materials CRA Catlow, ZX Guo, M Miskufova, SA Shevlin, AGH Smith, AA Sokol, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2010
160 2010 Structures of zinc oxide nanoclusters: as found by revolutionary algorithm techniques AA Al-Sunaidi, AA Sokol, CRA Catlow, SM Woodley
The Journal of Physical Chemistry C 112 (48), 18860-18875, 2008
144 2008 Polymorph Engineering of TiO2 : Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination J Buckeridge, KT Butler, CRA Catlow, AJ Logsdail, DO Scanlon, ...
Chemistry of Materials 27 (11), 3844-3851, 2015
143 2015 Zinc oxide: a case study in contemporary computational solid state chemistry CRA Catlow, SA French, AA Sokol, AA Al‐Sunaidi, SM Woodley
Journal of computational chemistry 29 (13), 2234-2249, 2008
135 2008 Deep vs shallow nature of oxygen vacancies and consequent J Buckeridge, CRA Catlow, MR Farrow, AJ Logsdail, DO Scanlon, ...
Physical Review Materials 2 (5), 054604, 2018
133 2018 Electronic and optical properties of doped and undoped (TiO2) n nanoparticles SA Shevlin, SM Woodley
The Journal of Physical Chemistry C 114 (41), 17333-17343, 2010
126 2010 Sonic bands, bandgaps, and defect states in layered structures—theory and experiment R James, SM Woodley, CM Dyer, VF Humphrey
The Journal of the Acoustical Society of America 97 (4), 2041-2047, 1995
106 1995 Properties of small TiO 2, ZrO 2 and HfO 2 nanoparticles SM Woodley, S Hamad, JA Mejias, CRA Catlow
Journal of Materials Chemistry 16 (20), 1927-1933, 2006
99 2006 Strontium migration assisted by oxygen vacancies in SrTiO 3 from classical and quantum mechanical simulations A Walsh, CRA Catlow, AGH Smith, AA Sokol, SM Woodley
Physical Review B 83 (22), 220301, 2011
98 2011 Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals J Buckeridge, CRA Catlow, DO Scanlon, TW Keal, P Sherwood, ...
Physical Review Letters 114 (1), 016405, 2015
94 2015 The displacive phase transition of vanadium dioxide and the effect of doping with tungsten M Netsianda, PE Ngoepe, CRA Catlow, SM Woodley
Chemistry of Materials 20 (5), 1764-1772, 2008
91 2008 Prediction of crystal structures using evolutionary algorithms and related techniques SM Woodley
Applications of Evolutionary Computation in Chemistry, 95-132, 2004
91 2004 Physical properties, intrinsic defects, and phase stability of indium sesquioxide A Walsh, CRA Catlow, AA Sokol, SM Woodley
Chemistry of Materials 21 (20), 4962-4969, 2009
89 2009 
C. Richard A. Catlowprofessor of ChemistryBestätigte E-Mail-Adresse bei ucl.ac.uk
