| Unraveling the Impact of Graphene Addition to Thermoelectric SrTiO3 and La-Doped SrTiO3 Materials: A Density Functional Theory Study J Tse, A Aziz, JM Flitcroft, JM Skelton, LJ Gillie, SC Parker, DJ Cooke, ... ACS applied materials & interfaces 13 (34), 41303-41314, 2021 | 16 | 2021 |
| The energetics of carbonated PuO 2 surfaces affects nanoparticle morphology: a DFT+ U study S Moxon, AR Symington, ST Joshua, J Dawson, JM Flitcroft, SC Parker, ... Physical Chemistry Chemical Physics 22 (15), 7728-7737, 2020 | 12 | 2020 |
| Structural dynamics of Schottky and Frenkel defects in ThO 2: a density-functional theory study S Moxon, J Skelton, ST Joshua, J Flitcroft, A Togo, DJ Cooke, EL Da Silva, ... Journal of Materials Chemistry A 10 (4), 1861-1875, 2022 | 10 | 2022 |
| Surfinpy: A surface phase diagram generator AR Symington, J Tse, M Molinari, A Marmier, SC Parker Journal of Open Source Software 4 (34), 1210, 2019 | 9 | 2019 |
| An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+ 1TinO3n+ 1 (n= 1–3) ND Wood, DM Teter, ST Joshua, RA Jackson, DJ Cooke, LJ Gillie, ... Journal of Solid State Chemistry 303, 122523, 2021 | 8 | 2021 |
| Structural dynamics of Schottky and Frenkel defects in CeO2: a density-functional theory study T Smith, S Moxon, ST Joshua, JM Skelton, DJ Cooke, LJ Gillie, ... Journal of Physics: Energy 5 (2), 025004, 2023 | 5 | 2023 |
| First principles insights into oxide/polymer composites: SrTiO3/polyaniline/graphene ND Wood, ST Joshua, JM Skelton, DJ Cooke, LJ Gillie, SC Parker, ... Journal of Materials Science & Technology 166, 250-260, 2023 | 2 | 2023 |
| Composition-dependent morphologies of CeO 2 nanoparticles in the presence of Co-adsorbed H 2 O and CO 2: a density functional theory study S Moxon, AR Symington, ST Joshua, JM Flitcroft, JM Skelton, LJ Gillie, ... Nanoscale 16 (23), 11232-11249, 2024 | | 2024 |
| Location of Artinite (Mg 2 CO 3 (OH) 2· 3H 2 O) within the MgO–CO 2–H 2 O system using ab initio thermodynamics ST Joshua, J Grant, JM Skelton, LJ Gillie, R Zhu, GL Pesce, RJ Ball, ... Physical Chemistry Chemical Physics 25 (27), 18011-18022, 2023 | | 2023 |
| SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases ST Joshua, M Molinari, SC Parker, AR Symington Journal of Open Source Software 7 (71), 4014, 2022 | | 2022 |
| symmy596/SurfinPy: SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases J Tse, M Molinari, SC Parker, AR Symington | | 2022 |
| Towards Understanding the Thermodynamic Properties of Magnesium Rich Minerals Using Atomistic Simulations ST Joshua University of Bath, 2017 | | 2017 |
