电池2017，Vol.47Issue(5)：273-276,4.DOI:10.19535/j.1001-1579.2017.05.005
锂离子电池用磷基负极材料的嵌脱锂机理
Lithium intercalation/deintercalation mechanism of phosphorus based anode material for Li-ion battery
摘要
Abstract
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 anode.The lithium intercalation potential of the three phosphide phases was high,with poor electrical conductivity.关键词
磷/负极材料/锂离子电池/第一性原理Key words
phosphide/anode material/Li-ion battery/first-principle分类
信息技术与安全科学引用本文复制引用
黄钊文,肖文平,李劲扬,侯贤华..锂离子电池用磷基负极材料的嵌脱锂机理[J].电池,2017,47(5):273-276,4.基金项目
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) （2017A030313296,2015A030313436,2015A030310522）
