Research output per year
Research output per year
Description
This dataset contains DFT calculation inputs and outputs and analysis codes for calculations of Al intercalation into (OH,F)-substituted anatase TiO2. More details on these calculations and analysis are given in the paper by Legein et al., "Atomic Insights into Aluminium-Ion Insertion in Defective Anatase for Batteries".
| Date made available | 10 Jul 2020 |
|---|---|
| Publisher | University of Bath |
Research output
- 1 Article
-
Atomic Insights into Aluminium-Ion Insertion in Defective Anatase for Batteries
Legein, C., Morgan, B., Fayon, F., Koketsu, T., Ma, J., Body, M., Sarou-Kanian, V., Wei, X., Heggen, M., Borkiewicz, O., Strasser, P. & Dambournet, D., 12 Oct 2020, In: Angewandte Chemie. 59, 43, p. 19247-19253 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile30 Citations (SciVal)174 Downloads (Pure)
Projects
- 3 Finished
-
Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes
Morgan, B. (PI)
1/10/19 → 30/09/22
Project: Research council
-
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