Software Open Access

DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2

Morgan, Benjamin J.


Dublin Core Export

<?xml version='1.0' encoding='utf-8'?>
<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Morgan, Benjamin J.</dc:creator>
  <dc:date>2018-03-05</dc:date>
  <dc: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.</dc:description>
  <dc:identifier>https://zenodo.org/record/1188777</dc:identifier>
  <dc:identifier>10.5281/zenodo.1188777</dc:identifier>
  <dc:identifier>oai:zenodo.org:1188777</dc:identifier>
  <dc:relation>doi:10.15125/BATH-00473</dc:relation>
  <dc:relation>url:https://github.com/bjmorgan/data_F-TiO2_intercalation_anions</dc:relation>
  <dc:relation>doi:10.5281/zenodo.1181872</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opensource.org/licenses/MIT</dc:rights>
  <dc:title>DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
</oai_dc:dc>
81
8
views
downloads
All versions This version
Views 8176
Downloads 87
Data volume 24.3 MB21.4 MB
Unique views 7267
Unique downloads 87

Share

Cite as