검색결과 : 15건
| No. | Article |
|---|---|
| 1 |
Oxidation states and ionicity Walsh A, Sokol AA, Buckeridge J, Scanlon DO, Catlow CRA Nature Materials, 17(11), 958, 2018 |
| 2 |
Magnetic coupling constants for MnO as calculated using hybrid density functional theory Logsdail AJ, Downing CA, Catlow CRA, Sokol AA Chemical Physics Letters, 690, 47, 2017 |
| 3 |
Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces Deacon-Smith DEE, Scanlon DO, Catlow CRA, Sokol AA, Woodley SM Advanced Materials, 26(42), 7252, 2014 |
| 4 |
Band alignment of rutile and anatase TiO2 Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CRA, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA Nature Materials, 12(9), 798, 2013 |
| 5 |
Potential energy landscapes for anion Frenkel-pair formation in ceria and india Walsh A, Woodley SM, Catlow CRA, Sokol AA Solid State Ionics, 184(1), 52, 2011 |
| 6 |
Oxygen interstitial structures in close-packed metal oxides Sokol AA, Walsh A, Catlow CRA Chemical Physics Letters, 492(1-3), 44, 2010 |
| 7 |
A computational investigation of the different intermediates during organoalkoxysilane hydrolysis French SA, Sokol AA, Catlow CRA, Kornherr A, Nauer GE, Zifferer G Journal of Physical Chemistry B, 110(48), 24311, 2006 |
| 8 |
Adsorption of organosilanes at a Zn-terminated ZnO (0001) surface: Molecular dynamics study Kornherr A, Nauer GE, Sokol AA, French SA, Catlow CRA, Zifferer G Langmuir, 22(19), 8036, 2006 |
| 9 |
Active sites for heterogeneous catalysis by functionalisation of internal and external surfaces French SA, Sokol AA, To J, Catlow CRA, Phala NS, Klatt G, van Steen E Catalysis Today, 93-95, 535, 2004 |
| 10 |
Interaction of adsorbed organosilanes with polar zinc oxide surfaces: a molecular dynamics study comparing two models for the metal oxide surface Kornherr A, French SA, Sokol AA, Catlow CRA, Hansal S, Hansal WEG, Besenhard JO, Kronberger H, Nauer GE, Zifferer G Chemical Physics Letters, 393(1-3), 107, 2004 |