Dft Data Analysis: Intercalation Of X=(Li, Na, Mg, Ca, Al) Into (F/Oh)-Substituted Anatase Tio2

Software OPEN SOURCE
Morgan, Benjamin J.;
(2018)
  • Publisher: Zenodo
  • Identifiers: doi: 10.5281/zenodo.1188777, doi: 10.5281/zenodo.1181873, doi: 10.5281/zenodo.1181872
  • Subject: Molecular Biology | Local Anionic Environment | code | Role | Plant Biology | repository | DFT data | Ma | Pharmacology | Mg | Science Policy | TiO | Biophysics | figure | Microbiology | Medicine | DFT Data Analysis | Al | finding | analysis | anatase | Na | Anatase Titanium Vacancies | Vacancy | Lithium Intercalation

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.
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