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Benjamin J. Morgan
Benjamin J. Morgan
Department of Chemistry, University of Bath
Verifisert e-postadresse på bath.ac.uk
Tittel
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A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface
BJ Morgan, GW Watson
Surface Science 601 (21), 5034-5041, 2007
5832007
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
4992010
Inducing high ionic conductivity in the lithium superionic argyrodites Li6+xP1-xGexS5I for all-solid-state batteries
MA Kraft, S Ohno, T Zinkevich, R Koerver, SP Culver, T Fuchs, ...
Journal of the American Chemical Society 140 (47), 16330-16339, 2018
4592018
Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2
T Koketsu, J Ma, BJ Morgan, M Body, C Legein, W Dachraoui, M Giannini, ...
Nature Materials 16 (11), 1142, 2017
4322017
Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment
DO Scanlon, BJ Morgan, GW Watson, A Walsh
Physical Review Letters 103 (9), 96405, 2009
3382009
Polaronic trapping of electrons and holes by native defects in anatase TiO2
BJ Morgan, GW Watson
Physical Review B 80 (23), 233102, 2009
3092009
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
2782009
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
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
1912012
Small polarons in Nb-and Ta-doped rutile and anatase TiO2
BJ Morgan, DO Scanlon, GW Watson
J. Mater. Chem. 19 (29), 2009
1912009
Modeling the polaronic nature of p-type defects in CuO: The failure of GGA and GGA+ U
DO Scanlon, BJ Morgan, GW Watson
The Journal of Chemical Physics 131, 124703, 2009
1632009
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
1592009
Understanding the Electronic Structure of IrO2 Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory
JM Kahk, CG Poll, FE Oropeza, JM Ablett, D Céolin, JP Rueff, S Agrestini, ...
Physical Review Letters 112 (11), 117601, 2014
1452014
GGA+U description of lithium intercalation into anatase TiO2
BJ Morgan, GW Watson
Physical Review B 82 (14), 144119, 2010
1452010
Understanding conductivity anomalies in Cu-based delafossite transparent conducting oxides: Theoretical insights
DO Scanlon, KG Godinho, BJ Morgan, GW Watson
The Journal of chemical physics 132, 024707, 2010
1352010
Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites
BJ Morgan
Chemistry of Materials, 2021
1272021
X-ray spectroscopic study of the electronic structure of CuCrO2
T Arnold, DJ Payne, A Bourlange, JP Hu, RG Egdell, LFJ Piper, ...
Physical Review B 79 (7), 075102, 2009
1262009
Surface sensitivity in lithium-doping of MgO: a density functional theory study with correction for on-site Coulomb interactions
DO Scanlon, A Walsh, BJ Morgan, M Nolan, J Fearon, GW Watson
The Journal of Physical Chemistry C 111 (22), 7971-7979, 2007
1112007
The origin of the enhanced oxygen storage capacity of Ce1−x(Pd/Pt)xO2
DO Scanlon, BJ Morgan, GW Watson
Physical Chemistry Chemical Physics 13 (10), 4279-4284, 2011
1082011
Local charge inhomogeneity and lithium distribution in the superionic argyrodites Li6PS5X (X= Cl, Br, I)
N Minafra, MA Kraft, T Bernges, C Li, R Schlem, BJ Morgan, WG Zeier
Inorganic Chemistry 59 (15), 11009-11019, 2020
942020
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Artikler 1–20