Dataset for "Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes"
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下载链接：
https://researchdata.bath.ac.uk/id/eprint/1189
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资源简介：
This dataset contains the computational data and analysis for the paper "Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes". It includes input and output files for the density functional theory (DFT) calculations, performed using VASP and CRYSTAL.
提供机构：
University of Bath
创建时间：
2022-12-02
