First-principles calculations and experimental studies of Sn-Zn alloys as negative electrode materials for lithium-ion batteries

查看全文 作　　者：RU Qiang PENG Wei ZHANG Zhiwen HU Shejun LI [1]Yanling

机构地区：[1]Laboratory of Quantum Information Technology, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006, China

出　　处：《Rare Metals》索引2011年第30卷第2期,共6页

基　　金：supported by the National Nature Science Foundation of China (No. 50771046);the Foundation from Department of Education of Guangdong Province (No. C10179) 摘　　要：The physical characters and electrochemical properties of various phases in a Sn-Zn electrode,such as formation energy,plateau potential,specific capacity,as well as volume expansion,were calculated by the first-principles plane-wave pseudo-potential method based on the density functional theory.Sn-Zn films were also deposited on copper foils by an electroless plating technique.The actual composition and chemical characters were explored by scanning electron microscopy (SEM),X-ray diffraction (XRD),plasma atomic emission spectrometry (ICP),and constant current charge/discharge measurements (CC).The results show that separation phases with tin and zinc including a small quantity of Cu6Sn5 phase were obtained,the initial lithium insertion capacity of the Sn-Zn film was 661 mAh/g,and obvious potential plateaus of about 0.4 V and 0.7 V were displayed,which is in accordance with the results of theoretical calculations.The capacity of the Sn-Zn film decreased seriously with the increase of cycle number. 关键词：第一原理计算锡锌合金锂离子电池负极材料等离子体原子发射光谱扫描电子显微镜实验密度函数理论

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First-principles calculations and experimental studies of Sn-Zn alloys as negative electrode materials for lithium-ion batteries

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