Title: Integrated computational solutions for catalysis
Funder
Engineering and Physical Sciences Research Council
Principal Investigator
Co-Investigators
Catlow, Richard
Project Details
Net value award figure for Cardiff University: £1,005,687.00
Start date: 01/04/2015
End date: 30/11/2019
- Behaviour of S, SO and SO3 on Pt (001), (011) and (111) surfaces: A DFT Study - data (2021)
- Carbon dioxide reduction on strontium titanate perovskites - data (2020)
- CO₂ conversion into acetic acid (CH₃COOH) on the greigite Fe₃S₄{111} surface - data (2020)
- Competitive Adsorption of H2O and SO2 on the Catalytic Platinum Surfaces: A Density Functional Theory Study - data (2023)
- Data to Computational Insights into Ru, Pd and Pt fcc Nano-Catalysts from Density Functional Theory Calculations: The Influence of Long-Range Dispersion Corrections (2022)