Research output per year
Research output per year
Description
This dataset contains the computational data and analysis for the paper "Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes". It includes input and output files for the density functional theory (DFT) calculations, performed using VASP and CRYSTAL.
| Date made available | 7 Sept 2022 |
|---|---|
| Publisher | University of Bath |
Research output
- 1 Article
-
Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes
McColl, K., House, R. A., Rees, G. J., Squires, A., Coles, S., Bruce, P. G., Morgan, B. & Islam, M., 7 Sept 2022, In: Nature Communications. 13Research output: Contribution to journal › Article › peer-review
Open Access
Projects
- 2 Finished
-
Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
Morgan, B. (PI)
1/10/14 → 30/09/19
Project: Research council
-
Materials Chemistry High End Computing Consortium
Islam, S. (PI)
1/11/13 → 31/10/18
Project: Research council