Carbon incorporation effects and reaction mechanism of FeOCl cathode materials for chloride ion batteries

Scientific Reports
Xiangyu ZhaoXiaodong Shen

Abstract

Metal oxychlorides are proved to be new cathode materials for chloride ion batteries. However, this kind of cathode materials is still in a very early stage of research and development. The obtained reversible capacity is low and the electrochemical reaction mechanism concerning chloride ion transfer is not clear. Herein, we report FeOCl/carbon composites prepared by mechanical milling of the as-prepared FeOCl with carbon nanotube, carbon black or graphene nanoplatelets as cathode materials for chloride ion batteries. The electrochemical performance of the FeOCl electrode is evidently improved by the incorporation of graphene into the cathode. FeOCl/graphene cathode shows a high reversible capacity of 184 mAh g(-1) based on the phase transformation between FeOCl and FeO. Two stages of this phase transformation are observed for the FeOCl cathode. New insight into the reaction mechanism of chloride ion dissociation of FeOCl is investigated by DFT + U + D2 calculations.

References

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Citations

Jan 4, 2017·ACS Applied Materials & Interfaces·Xiangyu ZhaoXiaodong Shen
May 3, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·M EkholmS van Smaalen
Jul 31, 2019·Angewandte Chemie·Xiangyu ZhaoXiaodong Shen
May 16, 2020·Physical Chemistry Chemical Physics : PCCP·Shiyao WangMohammad Khazaei
Apr 3, 2019·Advanced Science·Chao ChenXiaodong Shen
Feb 12, 2019·ACS Applied Materials & Interfaces·Xiaoqiao HuLinfeng Sun

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Methods Mentioned

BETA
X-ray
scanning

Software Mentioned

Vienna ab initio Simulation Package ( VASP )

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