| A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface BJ Morgan, GW Watson Surface Science 601 (21), 5034-5041, 2007 | 520 | 2007 |
| 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 | 454 | 2010 |
| 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 | 332 | 2017 |
| 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 | 309 | 2009 |
| 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 | 301 | 2018 |
| Polaronic trapping of electrons and holes by native defects in anatase TiO2 BJ Morgan, GW Watson Physical Review B 80 (23), 233102, 2009 | 280 | 2009 |
| 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 | 247 | 2008 |
| 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 | 236 | 2009 |
| Small polarons in Nb-and Ta-doped rutile and anatase TiO2 BJ Morgan, DO Scanlon, GW Watson J. Mater. Chem. 19 (29), 2009 | 183 | 2009 |
| 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 | 174 | 2012 |
| 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 | 152 | 2009 |
| 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 | 150 | 2009 |
| GGA+ U description of lithium intercalation into anatase TiO_ {2} BJ Morgan, GW Watson Physical Review B 82 (14), 144119, 2010 | 124 | 2010 |
| 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 | 123 | 2010 |
| 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 | 122 | 2014 |
| X-ray spectroscopic study of the electronic structure of CuCrO_ {2} T Arnold, DJ Payne, A Bourlange, JP Hu, RG Egdell, LFJ Piper, ... Physical Review B 79 (7), 075102, 2009 | 121 | 2009 |
| 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 | 114 | 2007 |
| The origin of the enhanced oxygen storage capacity of Ce 1− x (Pd/Pt) x O 2 DO Scanlon, BJ Morgan, GW Watson Physical Chemistry Chemical Physics 13 (10), 4279-4284, 2011 | 97 | 2011 |
| Ion mobilities and microscopic dynamics in liquid (Li, K) Cl B Morgan, PA Madden The Journal of chemical physics 120 (3), 1402-1413, 2004 | 81 | 2004 |
| Stability of the M2 phase of vanadium dioxide induced by coherent epitaxial strain NF Quackenbush, H Paik, MJ Wahila, S Sallis, ME Holtz, X Huang, ... Physical Review B 94 (8), 085105, 2016 | 80 | 2016 |
David ScanlonProfessor of Computational Materials Design at University College LondonVerified email at ucl.ac.uk
