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
- Interaction of SO2 with the Platinum (001), (011) and (111) Surfaces: A DFT Study - data (2020)
- Mixing thermodynamics and electronic structure of the Pt₁₋ₓNiₓ (0 ≤ x ≤ 1) bimetallic alloy (2019)
- Stability and Mobility of Supported Nin (n = 1-10) Clusters on ZrO2(111) and YSZ(111) Surfaces: a Density Functional Theory Study (2018)
- Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries (2018)
- The electronic and magnetic structures and the thermodynamics of cation distribution in the LiMn₂O₄ spinel (2017)