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 