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David Scanlon
David Scanlon
Chair in Computational Chemistry at University of Birmingham
Email verificata su bham.ac.uk - Home page
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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
23782013
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
9172016
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
7212015
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
6562010
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
4752016
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
4602016
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
4372017
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
3632016
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
3292018
Acceptor Levels in -Type : Rationalizing Theory and Experiment
DO Scanlon, BJ Morgan, GW Watson, A Walsh
Physical review letters 103 (9), 096405, 2009
3262009
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
3202012
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
3162016
Bismuth oxyhalides: synthesis, structure and photoelectrochemical activity
DS Bhachu, SJA Moniz, S Sathasivam, DO Scanlon, A Walsh, ...
Chemical Science 7 (8), 4832-4841, 2016
2812016
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
2572008
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
2402016
Defect engineering of BaSnO 3 for high-performance transparent conducting oxide applications
DO Scanlon
Physical Review B 87 (16), 161201, 2013
2292013
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
2222011
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
2152011
Understanding the p-type defect chemistry of CuCrO 2
DO Scanlon, GW Watson
Journal of Materials Chemistry 21 (11), 3655-3663, 2011
2122011
On the possibility of p-type SnO 2
DO Scanlon, GW Watson
Journal of Materials Chemistry 22 (48), 25236-25245, 2012
1962012
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20