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Graeme Watson
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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), 798-801, 2013
23772013
Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
M Nolan, S Grigoleit, DC Sayle, SC Parker, GW Watson
Surface Science 576 (1-3), 217-229, 2005
8152005
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
M Nolan, SC Parker, GW Watson
Surface Science 595 (1-3), 223-232, 2005
8132005
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
A Walsh, DJ Payne, RG Egdell, GW Watson
Chemical Society Reviews 40 (9), 4455-4463, 2011
7002011
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
Atomistic simulation of dislocations, surfaces and interfaces in MgO
E TobyáKelsey, NH áde Leeuw
Journal of the Chemical Society, Faraday Transactions 92 (3), 433-438, 1996
5611996
A DFT+ U description of oxygen vacancies at the TiO2 rutile (1 1 0) surface
BJ Morgan, GW Watson
Surface Science 601 (21), 5034-5041, 2007
5572007
Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations
BJ Morgan, GW Watson
The Journal of Physical Chemistry C 114 (5), 2321-2328, 2010
4812010
Oxygen vacancy formation and migration in ceria
M Nolan, JE Fearon, GW Watson
Solid State Ionics 177 (35-36), 3069-3074, 2006
3782006
Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2
KG Godinho, A Walsh, GW Watson
The Journal of Physical Chemistry C 113 (1), 439-448, 2009
3632009
Atomistic simulation of the surface structure of the TiO 2 polymorphs rutileand anatase
E áToby Kelsey
Journal of Materials Chemistry 7 (3), 563-568, 1997
3501997
Acceptor Levels in -Type : Rationalizing Theory and Experiment
DO Scanlon, BJ Morgan, GW Watson, A Walsh
Physical review letters 103 (9), 096405, 2009
3242009
Atomistic models for CeO2 (111),(110), and (100) nanoparticles, supported on yttrium-stabilized zirconia
DC Sayle, SA Maicaneanu, GW Watson
Journal of the American Chemical Society 124 (38), 11429-11439, 2002
3142002
The origin of the stereochemically active Pb (II) lone pair: DFT calculations on PbO and PbS
A Walsh, GW Watson
Journal of Solid State Chemistry 178 (5), 1422-1428, 2005
3032005
Polaronic trapping of electrons and holes by native defects in anatase TiO 2
BJ Morgan, GW Watson
Physical Review B 80 (23), 233102, 2009
2932009
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
A Density Functional Theory + U Study of Oxygen Vacancy Formation at the (110), (100), (101), and (001) Surfaces of Rutile TiO2
BJ Morgan, GW Watson
The Journal of Physical Chemistry C 113 (17), 7322-7328, 2009
2552009
Electronic origins of structural distortions in post-transition metal oxides: experimental and theoretical evidence for a revision of the lone pair model
DJ Payne, RG Egdell, A Walsh, GW Watson, J Guo, PA Glans, ...
Physical review letters 96 (15), 157403, 2006
2432006
Influence of the anion on lone pair formation in Sn (II) monochalcogenides: A DFT study
A Walsh, GW Watson
The Journal of Physical Chemistry B 109 (40), 18868-18875, 2005
2232005
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
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