First-principles study of Li-intercalated carbon nanotube ropes

被引：287

作者：

Zhao, J ^{[1
]}

Buldum, A

Han, J

Lu, JP

机构：

[1] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA

[2] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.85.1706

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We studied Li-intercalated carbon nanotube ropes by first-principles methods. Results show charge transfer between Li and C and small structural deformation due to intercalation. Both the interior of the nanotube and the interstitial space are susceptible for intercalation. The Li intercalation potential of a single-walled nanotube rope is comparable to that of graphite and almost independent of the Li density up to around LiC2. as observed in recent experiments. This density is significantly higher than that of Li-intercalated graphite, making the nanorope a premising. candidate for the anode material in battery applications.

引用

页码：1706 / 1709

页数：4

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