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

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