Published March 5, 2018
| Version v1.1
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DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2
Creators
- 1. Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
Description
This repository contains analysis of DFT data that supports the findings reported in Ma et al. Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment, and code for plotting the relevant figures in this paper.
Files
bjmorgan/data_F-TiO2_intercalation_anions-v1.1.zip
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(3.1 MB)
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Additional details
Related works
- Is supplement to
- 10.15125/BATH-00473 (DOI)
- https://github.com/bjmorgan/data_F-TiO2_intercalation_anions (URL)