First-principles calculations for Li insertion into InSb

JOURNAL OF POWER SOURCES

卷:97-8

Article; Proceedings Paper

Benedek, R ; Vaughey, JT ; Thackeray, MM ; Yang, LH ; Prasad, R

关键词: first-principles calculations;    Li insertion;    intermetallic electrode;   

DOI  :  10.1016/S0378-7753(01)00541-9

来源: Elsevier

【 摘 要 】

First-principles calculations are presented for the zinc-blende structure compound InSb, a candidate anode material for Li batteries. The atomic structure of InSb during Li insertion is discussed in the light of local density functional theory calculations based on plane-wave pseudopotential and linear muffin tin orbital methods. (C) 2001 Elsevier Science B.V. All rights reserved.

【 授权许可】

Free