%0 Journal Article %T Investigation of lithium insertion in anode material CuSn for lithium-ion batteries
锂离子电池负极材料CuSn的Li嵌入性质的研究 %A Hou Zhu-Feng %A Liu Hui-Ying %A Zhu Zi-Zhong %A Huang Mei-Chun %A Yang Yong %A
侯柱锋 %A 刘慧英 %A 朱梓忠 %A 黄美纯 %A 杨 勇 %J 物理学报 %D 2003 %I %X An ab initio method with mixed-basis norm-conserving non-local pseudopotentials has been employed to investigate the non-carbon-baring anode material-CuSn for lithium-ion batteries. The lithium intercalation energies and their electronic structures have been calculated. The changes of volume, band structures, electronic density of states and charge density contour plots for lithium intercalation in CuSn are also presented. The characteristics of CuSn as an anode material for lithium ion batteries are also discussed. By calculation, we have found that the insertion formation energy of Li insertion CuSn electrode with zinc-blende-type structures as the host framework is about 3.5eV. %K lithium-ion batteries %K anode materials %K CuSn %K electronic structure
锂离子电池, %K 负极材料, %K CuSn, %K 电子结构 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=8B21ACC902EB7F30&yid=D43C4A19B2EE3C0A&vid=286FB2D22CF8D013&iid=E158A972A605785F&sid=793F041A4288469A&eid=158793AD8125C377&journal_id=1000-3290&journal_name=物理学报&referenced_num=1&reference_num=13