Title: Energy materials: Computational solutions
Funder
Engineering and Physical Sciences Research Council
Principal Investigator
Project Details
Net value award figure for Cardiff University: £469,188.00
Start date: 01/02/2015
End date: 19/05/2019
- Behaviour of S, SO and SO3 on Pt (001), (011) and (111) surfaces: A DFT Study - data (2021)
- Charge transfers of CO₂ on the {001} and {111} surfaces of magnetite (Fe₃O₄) (2017)
- CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: a Density Functional Theory Study (2018)
- CO₂ interaction with the violarite FeNi₂S₄{001} and {111} surfaces (2018)
- Combined Density Functional Theory and Molecular Dynamics Study of Sm0.75A0.25Co1-xMnxO2.88 (A=Ca, Sr; x=0.125, 0.25) Cathode Material for Next Generation Solid Oxide Fuel Cell: data (2019)