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David Scanlon
David Scanlon
Chair in Computational Chemistry at University of Birmingham
Verified email at bham.ac.uk - Homepage
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Cited by
Cited by
Year
Band alignment of rutile and anatase TiO2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798, 2013
25012013
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
10582016
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
7662015
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
6962010
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
5362016
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
4972016
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
4542017
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
4052018
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
3982016
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
3512016
Controlling bulk conductivity in topological insulators: key role of anti-site defects
DO Scanlon, PDC King, RP Singh, A De La Torre, SMK Walker, ...
arXiv preprint arXiv:1204.4063, 2012
3352012
Acceptor Levels in -Type : Rationalizing Theory and Experiment
DO Scanlon, BJ Morgan, GW Watson, A Walsh
Physical review letters 103 (9), 096405, 2009
3332009
Bismuth oxyhalides: synthesis, structure and photoelectrochemical activity
DS Bhachu, SJA Moniz, S Sathasivam, DO Scanlon, A Walsh, ...
Chemical Science 7 (8), 4832-4841, 2016
3022016
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
2712008
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
2532016
Defect engineering of BaSnO for high-performance transparent conducting oxide applications
DO Scanlon
Physical Review B—Condensed Matter and Materials Physics 87 (16), 161201, 2013
2352013
2021 roadmap for sodium-ion batteries
N Tapia-Ruiz, AR Armstrong, H Alptekin, MA Amores, H Au, J Barker, ...
Journal of Physics: Energy 3 (3), 031503, 2021
2272021
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
2272011
Understanding the p-type defect chemistry of CuCrO 2
DO Scanlon, GW Watson
Journal of Materials Chemistry 21 (11), 3655-3663, 2011
2252011
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
2242011
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