Description
The dataset contains inputs and outputs for a series of VASP calculations on Mg/Li-intercalated F-doped anatase TiO2, and scripts for processing this DFT data to produce the related manuscript figures.
| Date made available | 24 Oct 2019 |
|---|---|
| Publisher | University of Bath |
Research output
- 1 Article
-
Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries
Koketsu, T., Ma, J., Morgan, B., Body, M., Legein, C., Goddard, P., Borkiewicz, O., Strasser, P. & Dambournet, D., 31 Mar 2020, In: Energy Storage Materials. 25, p. 154-163 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile23 Link opens in a new tab Citations (SciVal)132 Downloads (Pure)
Projects
- 2 Finished
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Faraday Institute Call - Multi-Scale Modelling
Islam, S. (PI) & Morgan, B. (CoI)
Engineering and Physical Sciences Research Council
1/03/18 → 30/06/21
Project: Research council
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Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
Morgan, B. (PI)
1/10/14 → 30/09/19
Project: Research council
Cite this
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