锂离子电池用磷基负极材料的嵌脱锂机理OA北大核心CSCDCSTPCD
Lithium intercalation/deintercalation mechanism of phosphorus based anode material for Li-ion battery
采用第一性原理平面波赝势法,研究具有不同晶体结构的磷作为锂离子电池负极材料的嵌脱锂机理.3种磷中优选空间群类型为CMCA的P-3,在富锂状态(Li2P)下的体积膨胀系数仅为35.89％,且理论比容量高达1 729 mAh/g,具备成为碳负极替代性产品的研究价值;3种磷相的嵌脱锂电位均较高,但导电性能较差.
Based on first-principle plane wave pseudopotential method,the lithium intercalation/deintercalation mechanism of phosphide with different lattice structure as anode materials was investigated.The P-3 whose space group was CMCA was the best one among the three phosphide phases,whose volume expansion ratio of the lithium rich state(Li2P) was only 35.89％,with theoretical specific capacity of 1 729 mAh/g,which showed the value of being a substitute for carbon a…查看全部>>
黄钊文;肖文平;李劲扬;侯贤华
顺德职业技术学院电子与信息工程学院,广东佛山528300顺德职业技术学院电子与信息工程学院,广东佛山528300顺德职业技术学院电子与信息工程学院,广东佛山528300广东省高效绿色能源与环保材料工程技术研究中心,广东广州510006
信息技术与安全科学
磷负极材料锂离子电池第一性原理
phosphideanode materialLi-ion batteryfirst-principle
《电池》 2017 (5)
273-276,4
广东省自然科学基金(2017A030313296,2015A030313436,2015A030310522),广东省科技计划项目(2016A05050340,201613010114002),广州市科技计划项目(201505050909107,201505050826216)
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