Fullerenes inside carbon nanotubes and multi-walled carbon nanotubes: optimum and maximum sizes

被引：100

作者：

Hodak, M ^{[1
]}

Girifalco, LA ^{[1
]}

机构：

[1] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 350卷 / 5-6期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(01)01339-2

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：

The potential energies of interaction between carbon nanotubes and internal fullerenes of spherical and ellipsoidal shape, as well as between nanotubes in multi-walled nanotubes were calculated using the Lennard-Jones (U) potential for carbon-carbon interactions. The optimum and maximum size of internal fullerenes and multi-walled nanotubes are determined as a function of the external nanotube radius. It was found that at the potential energy minimum, the van der Waals distance is close to that in graphite for all studied cases. The calculated results agree with available experimental observations and could be used as a guide for future experiments. (C) 2001 Published by Elsevier Science B.V.

引用

页码：405 / 411

页数：7

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