David Scanlon

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Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
John BuckeridgeSenior Lecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Chris SavoryUniversity College LondonVerified email at ucl.ac.uk
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
Parkin IUCLVerified email at ucl.ac.uk
Alex GanoseImperial College LondonVerified email at imperial.ac.uk
Benjamin J. MorganDepartment of Chemistry, University of BathVerified email at bath.ac.uk
Robert PalgraveProfessor of Inorganic and Materials Chemistry, University College LondonVerified email at ucl.ac.uk
Alexey A. SokolUniversity College LondonVerified email at ucl.ac.uk
Tim VealProfessor of Materials Physics, Stephenson Inst. for Ren. Energy and Physics, Univ. of LiverpoolVerified email at liverpool.ac.uk
Benjamin A. D. WilliamsonNorwegian University of Science and Technology (NTNU)Verified email at ntnu.no
Scott M WoodleyProfessor of Computational Chemistry and Physics, University College LondonVerified email at ucl.ac.uk
Claire J. CarmaltUniversity College LondonVerified email at ucl.ac.uk
Louis F PiperProfessor of Electrochemical Materials, WMG, Warwick UniversityVerified email at warwick.ac.uk
Russell G Egdell or edgell rgProfessor of Inorganic Chemistry, University of OxfordVerified email at chem.ox.ac.uk
Sanjayan SathasivamUniversity College LondonVerified email at ucl.ac.uk
Andrew J. LogsdailCardiff UniversityVerified email at cardiff.ac.uk
Paul SherwoodUniversity of LancasterVerified email at stfc.ac.uk
David J. PayneProfessor at Imperial College London and Director, Research Complex at HarwellVerified email at imperial.ac.uk

David Scanlon

Chair in Computational Chemistry at University of Birmingham

Verified email at bham.ac.uk - Homepage

Computational Solid State Chemistry Chemical Sciences Defects Energy Materials


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Band alignment of rutile and anatase TiO₂ DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ... Nature materials 12 (9), 798, 2013	2281	2013
On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system W Travis, ENK Glover, H Bronstein, DO Scanlon, RG Palgrave Chemical science 7 (7), 4548-4556, 2016	865	2016
Self‐regulation mechanism for charged point defects in hybrid halide perovskites A Walsh, DO Scanlon, S Chen, XG Gong, SH Wei Angewandte Chemie 127 (6), 1811-1814, 2015	697	2015
Theoretical and Experimental Study of the Electronic Structures of MoO₃ and MoO₂ DO Scanlon, GW Watson, DJ Payne, GR Atkinson, RG Egdell, DSL Law The Journal of Physical Chemistry C 114 (10), 4636-4645, 2010	628	2010
Can Pb-free halide double perovskites support high-efficiency solar cells? CN Savory, A Walsh, DO Scanlon ACS energy letters 1 (5), 949-955, 2016	435	2016
Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs₂SnI₆ and Cs₂TeI₆ AE Maughan, AM Ganose, MM Bordelon, EM Miller, DO Scanlon, ... Journal of the American Chemical Society 138 (27), 8453-8464, 2016	435	2016
Beyond methylammonium lead iodide: prospects for the emergent field of ns 2 containing solar absorbers AM Ganose, CN Savory, DO Scanlon Chemical Communications 53 (1), 20-44, 2017	423	2017
n-Type doped transparent conducting binary oxides: an overview SC Dixon, DO Scanlon, CJ Carmalt, IP Parkin Journal of Materials Chemistry C 4 (29), 6946-6961, 2016	343	2016
Controlling bulk conductivity in topological insulators: key role of anti‐site defects DO Scanlon, PDC King, RP Singh, A De La Torre, SMK Walker, ... Advanced Materials 24 (16), 2154-2158, 2012	313	2012
Acceptor Levels in -Type : Rationalizing Theory and Experiment DO Scanlon, BJ Morgan, GW Watson, A Walsh Physical review letters 103 (9), 096405, 2009	313	2009
sumo: Command-line tools for plotting and analysis of periodic* ab initio* calculations AM Ganose, AJ Jackson, DO Scanlon Journal of Open Source Software 3 (28), 717, 2018	300	2018
Interplay of orbital and relativistic effects in bismuth oxyhalides: BiOF, BiOCl, BiOBr, and BiOI AM Ganose, M Cuff, KT Butler, A Walsh, DO Scanlon Chemistry of materials 28 (7), 1980-1984, 2016	298	2016
Bismuth oxyhalides: synthesis, structure and photoelectrochemical activity DS Bhachu, SJA Moniz, S Sathasivam, DO Scanlon, A Walsh, ... Chemical Science 7 (8), 4832-4841, 2016	279	2016
An ab initio Study of Reduction of V₂O₅ through the Formation of Oxygen Vacancies and Li Intercalation DO Scanlon, A Walsh, BJ Morgan, GW Watson The Journal of Physical Chemistry C 112 (26), 9903-9911, 2008	250	2008
Band gap and work function tailoring of SnO 2 for improved transparent conducting ability in photovoltaics AM Ganose, DO Scanlon Journal of Materials Chemistry C 4 (7), 1467-1475, 2016	226	2016
Sources of conductivity and doping limits in CdO from hybrid density functional theory M Burbano, DO Scanlon, GW Watson Journal of the American Chemical Society 133 (38), 15065-15072, 2011	217	2011
Defect engineering of BaSnO 3 for high-performance transparent conducting oxide applications DO Scanlon Physical Review B 87 (16), 161201, 2013	215	2013
Role of Lattice Distortions in the Oxygen Storage Capacity of Divalently Doped CeO₂ AB Kehoe, DO Scanlon, GW Watson Chemistry of materials 23 (20), 4464-4468, 2011	208	2011
Understanding the p-type defect chemistry of CuCrO 2 DO Scanlon, GW Watson Journal of Materials Chemistry 21 (11), 3655-3663, 2011	207	2011
On the possibility of p-type SnO 2 DO Scanlon, GW Watson Journal of Materials Chemistry 22 (48), 25236-25245, 2012	188	2012

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