David Scanlon

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Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
John BuckeridgeSenior Lecturer, London South Bank UniversityVerified email at lsbu.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
Chris SavoryUniversity College LondonVerified email at ucl.ac.uk
Alexey A. SokolUniversity College LondonVerified email at ucl.ac.uk
Robert PalgraveProfessor of Inorganic and Materials Chemistry, University 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
Scott M WoodleyProfessor of Computational Chemistry and Physics, University College LondonVerified email at ucl.ac.uk
Benjamin A. D. WilliamsonNorwegian University of Science and Technology (NTNU)Verified email at ntnu.no
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
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
Aoife KehoeTrinity College DublinVerified email at tcd.ie

David Scanlon

Professor of Computational Materials Design at University College London

Verified email at ucl.ac.uk - Homepage

Solid state chemistry DFT Defects Energy Materials Structure Property Relationships.


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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	2116	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	704	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	636	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	572	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	375	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	373	2017
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	357	2016
Acceptor Levels in -Type : Rationalizing Theory and Experiment DO Scanlon, BJ Morgan, GW Watson, A Walsh Physical review letters 103 (9), 096405, 2009	308	2009
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	293	2012
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	292	2016
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	256	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	241	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	240	2008
Understanding the p-type defect chemistry of CuCrO 2 DO Scanlon, GW Watson Journal of Materials Chemistry 21 (11), 3655-3663, 2011	213	2011
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	206	2011
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	201	2018
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	201	2016
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	201	2011
Defect engineering of BaSnO 3 for high-performance transparent conducting oxide applications DO Scanlon Physical Review B 87 (16), 161201, 2013	198	2013
Small polarons in Nb-and Ta-doped rutile and anatase TiO 2 BJ Morgan, DO Scanlon, GW Watson Journal of Materials Chemistry 19 (29), 5175-5178, 2009	182	2009

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