David Scanlon
David Scanlon
Professor of Computational Materials Design at University College London
Verified email at ucl.ac.uk - Homepage
TitleCited byYear
Band alignment of rutile and anatase TiO2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798, 2013
12322013
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
3182010
Self‐Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites
A Walsh, DO Scanlon, S Chen, XG Gong, SH Wei
Angewandte Chemie International Edition 54 (6), 1791-1794, 2015
2422015
Acceptor levels in p-type Cu 2 O: rationalizing theory and experiment
DO Scanlon, BJ Morgan, GW Watson, A Walsh
Physical Review Letters 103 (9), 096405, 2009
2112009
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
1552016
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
1552012
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
1522008
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
1382011
Understanding the p-type defect chemistry of CuCrO 2
DO Scanlon, GW Watson
Journal of Materials Chemistry 21 (11), 3655-3663, 2011
1292011
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
1252011
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
1162009
Analysis of intrinsic defects in CeO2 using a Koopmans-like GGA+ U approach
PRL Keating, DO Scanlon, BJ Morgan, NM Galea, GW Watson
The Journal of Physical Chemistry C 116 (3), 2443-2452, 2012
1122012
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
1112017
Modeling the polaronic nature of -type defects in : The failure of GGA and
DO Scanlon, BJ Morgan, GW Watson
The Journal of chemical physics 131 (12), 124703, 2009
1042009
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
1032016
Undoped n-type Cu2O: fact or fiction?
DO Scanlon, GW Watson
The Journal of Physical Chemistry Letters 1 (17), 2582-2585, 2010
1012010
Effect of Cr substitution on the electronic structure of CuAl 1− x Cr x O 2
DO Scanlon, A Walsh, BJ Morgan, GW Watson, DJ Payne, RG Egdell
Physical Review B 79 (3), 035101, 2009
1012009
On the possibility of p-type SnO 2
DO Scanlon, GW Watson
Journal of Materials Chemistry 22 (48), 25236-25245, 2012
962012
Defect engineering of BaSnO 3 for high-performance transparent conducting oxide applications
DO Scanlon
Physical Review B 87 (16), 161201, 2013
942013
Understanding conductivity anomalies in -based delafossite transparent conducting oxides: Theoretical insights
DO Scanlon, KG Godinho, BJ Morgan, GW Watson
The Journal of chemical physics 132 (2), 024707, 2010
922010
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