Title: Computational catalysis: A sustainable UK-South Africa partnership in high performance computing
Funder
Economic & Social Research Council
Principal Investigator
Project Details
Net value award figure for Cardiff University: £152,443.00
Start date: 08/11/2015
End date: 07/05/2019
- Behaviour of S, SO and SO3 on Pt (001), (011) and (111) surfaces: A DFT Study - data (2021)
- Competitive Adsorption of H2O and SO2 on the Catalytic Platinum Surfaces: A Density Functional Theory Study - data (2023)
- DFT+U Study of the electronic, magnetic and mechanical properties of Co, CoO, and Co3O4 (2018)
- Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data (2019)
- Interaction of H2O with the platinum Pt (001), (011) and (111) surfaces: a density functional theory study with long-range dispersion corrections - data (2019)



