| Protonated Carboxyl Anchor for Stable Adsorption of Ru N749 Dye (Black Dye) on a TiO2 Anatase (101) Surface K Sodeyama, M Sumita, C O’Rourke, U Terranova, A Islam, L Han, ... The Journal of Physical Chemistry Letters 3 (4), 472-477, 2012 | 60 | 2012 |
| DSSC anchoring groups: a surface dependent decision C O'Rourke, DR Bowler Journal of Physics: Condensed Matter 26 (19), 195302, 2014 | 45 | 2014 |
| Adsorption of Thiophene-Conjugated Sensitizers on TiO2 Anatase (101) C O’Rourke, DR Bowler The Journal of Physical Chemistry C 114 (47), 20240-20248, 2010 | 45 | 2010 |
| Intrinsic Oxygen Vacancy and Extrinsic Aluminum Dopant Interplay: A Route to the Restoration of Defective TiO2 C O’Rourke, DR Bowler The Journal of Physical Chemistry C 118 (14), 7261-7271, 2014 | 28 | 2014 |
| Linear scaling density matrix real time TDDFT: Propagator unitarity and matrix truncation C O’Rourke, DR Bowler The Journal of chemical physics 143 (10), 2015 | 25 | 2015 |
| Interfacial strain effects on lithium diffusion pathways in the spinel solid electrolyte Li-doped C O'Rourke, BJ Morgan Physical Review Materials 2 (4), 045403, 2018 | 19 | 2018 |
| Structural properties of silicon–germanium and germanium–silicon core–shell nanowires C O’Rourke, SY Mujahed, C Kumarasinghe, T Miyazaki, DR Bowler Journal of Physics: Condensed Matter 30 (46), 465303, 2018 | 9 | 2018 |
| Anion-polarisation-directed short-range-order in antiperovskite Li 2 FeSO SW Coles, V Falkowski, HS Geddes, GE Pérez, SG Booth, AG Squires, ... Journal of Materials Chemistry A 11 (24), 13016-13026, 2023 | 8 | 2023 |
| crystal-torture: A crystal tortuosity module C O'Rourke, BJ Morgan Journal of Open Source Software 4 (38), 1306, 2019 | 5 | 2019 |
| DFT Dataset for" Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4" C O'Rourke, B Morgan University of Bath, 2018 | 1 | 2018 |