Computational Supporting Dataset for "Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries"

Dataset

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 available24 Oct 2019
PublisherUniversity of Bath
Contact

Research Output

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

Research output: Contribution to journal › Article

1 Citation (Scopus)

Projects

Faraday Institute Call - Multi-Scale Modelling

Islam, S. & Morgan, B.

Engineering and Physical Sciences Research Council

1/03/18 → 28/02/21

Project: Research council

Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials

Morgan, B.

The Royal Society

1/10/14 → 30/09/19

Project: Research council

Cite this

Morgan, B. (Creator) (24 Oct 2019). Computational Supporting Dataset for "Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries". University of Bath. 10.15125/BATH-00689