DFT Dataset: Mg Intercalation into (OH,F)-Substituted Anatase TiO2
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资源简介：
DFT calculation inputs and output, and analysis code to support the computational results in "Controlled Fluorination Reaction of Anatase to Promote Mg2+ Mobility in Rechargeable Magnesium Batteries" Ma et al. Chem. Comm. 2018.
提供机构：
University of Bath创建时间：
2018-08-17
