Graeme Watson
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Band alignment of rutile and anatase TiO 2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
17332013
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
6312005
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
6242005
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
4622010
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
4511996
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
4332007
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
4172011
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
3762010
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
3161997
Oxygen vacancy formation and migration in ceria
M Nolan, JE Fearon, GW Watson
Solid State Ionics 177 (35-36), 3069-3074, 2006
2882006
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
2652009
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
2572009
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
2472002
Polaronic trapping of electrons and holes by native defects in anatase TiO 2
BJ Morgan, GW Watson
Physical Review B 80 (23), 233102, 2009
2302009
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
2282005
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
1982006
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
1972009
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
1952008
Electronic structure of the α and δ phases of Bi 2 O 3: A combined ab initio and x-ray spectroscopy study
A Walsh, GW Watson, DJ Payne, RG Edgell, J Guo, PA Glans, ...
Physical Review B 73 (23), 235104, 2006
1882006
A comparison of the adsorption and diffusion of hydrogen on the {111} surfaces of Ni, Pd, and Pt from density functional theory calculations
GW Watson, RPK Wells, DJ Willock, GJ Hutchings
The Journal of Physical Chemistry B 105 (21), 4889-4894, 2001
1862001
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