NixCu6-xSn5 alloys as negative electrode materials for rechargeable lithium batteries

被引:19
作者
Zhang, Jing-jun
Zhang, Yi-min
Zhang, Xiao
Xia, Yong-yao [1 ]
机构
[1] Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China
[2] Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200433, Peoples R China
基金
中国国家自然科学基金;
关键词
alloys; intermetallic compound; tin; lithium-ion batteries; first-principle calculation;
D O I
10.1016/j.jpowsour.2007.02.012
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A series of Ni doped NixCu6-xSn5 (x=0, 0.5, 1, 2, 4) alloys were prepared by mechanical alloying, followed by annealing at 400 degrees C. The Ni doped alloys show the similar structure with that of Cu6Sn5 and Ni3Sn2, which can be indexed to a hexagonal Ni2In type cell, but differ in the electrochemical performance as the anodes of Li-ion batteries. The electrochemical tests show that the cycling reversibility of NixCu6-xSn5 increases at the expense of the reversible capacity with the increasing amount of Ni content. The proper amount Ni doped alloy, Ni2Cu4Sn5 showed better cycle performance with a reversible capacity of 200 mAh g(-1) (1680 mAh ml(-1)). The relative stability of the alloy was also investigated using the first-principles density-functional theory with pseudopotentials and plane wave basis (VASP). (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码:171 / 177
页数:7
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