First-principlesstudyofinterphaseNi3SninSn-Nialloyforanodeoflithiumionbattery

被引：0

作者：

侯贤华 ^{[1
]}

胡社军 ^{[1
,2
]}

李伟善 ^{[3
]}

汝强 ^{[1
]}

余洪文 ^{[1
]}

黄钊文 ^{[1
]}

机构：

[1] School of Physics and Telecommunication Engineering,South China Normal University

[2] Department of Mathematics and Physics,Wuyi University

[3] Department of Chemistry,South China Normal University

来源：

Chinese Physics B | 2008年 / 09期

关键词：

Sn-Ni alloy; first-principle; electronic structure; lithium ion battery;

D O I：

暂无

中图分类号：

TM912 [蓄电池];

学科分类号：

0808 ;

摘要：

This paper investigates the mechanism of Li insertion into interphase Ni3Sn in Ni-Sn alloy for the anode of lithium ion battery by means of the first-principles plane-wave pseudopotential.Compared with other phases,it is found that the Ni3Sn has larger relative expansion ratio and lower electrochemical potential,with its specific plateaus voltage around 0.3 eV when lithium atoms are filled in all octahedral interstitial sites,and the relative expansion ratio increasing dramatically when the lithiated phase transits from octahedral interstitial sites to tetrahedral interstitial sites.So this phase is a devastating phase for whole alloy electrode materials.

引用

页码：3422 / 3427

页数：6