Stability of narrow zigzag carbon nanotubes

被引：26

作者：

Cabria, I

Mintmire, JW ^{[1
]}

White, CT

机构：

[1] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA

[2] USN, Res Lab, Washington, DC 20375 USA

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2003年 / 91卷 / 01期

关键词：

narrow zigzag carbon nanotubes; graphene strips; single-walled carbon; nanotubes; first-principle calculations;

D O I：

10.1002/qua.10369

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：

First principles calculations of the electronic structure and total energy of narrow zigzag carbon nanotubes and their corresponding flat graphene strips have been carried out to assess the relative stability of the tube form. The results indicate that the smallest energetically stable carbon nanotube has a radius of about 0.2 nm. (C) 2002 Wiley Periodicals, Inc.

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页码：51 / 56

页数：6

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