科技报告详细信息
First-principles calculations for Li insertion into InSb. | |
Benedek, R. ; Vaughey, J. T. ; Thackeray, M. M. ; Yang, L. H. ; Prasad, R. | |
Technical Information Center Oak Ridge Tennessee | |
关键词: Lithium; Anodes; Density; Functional theory; Zinc; | |
RP-ID : DE2001757540 | |
学科分类:工程和技术(综合) | |
美国|英语 | |
来源: National Technical Reports Library | |
【 摘 要 】
First-principles calculations are presented for the zinc-blend-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.
【 预 览 】
Files | Size | Format | View |
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DE2001757540.pdf | 270KB | download |