Orientational melting of two-shell carbon nanoparticles: molecular dynamics study

被引：33

作者：

Lozovik, YE ^{[1
]}

Popov, AM ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Spect, Troitsk 142190, Moscow Region, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 328卷 / 4-6期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/S0009-2614(00)00971-4

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 energetic characteristics of two-shell carbon nanoparticles (onions) with different shapes of second shell are calculated. The barriers of relative rotation of shells are found to be surprisingly small; therefore, free relative rotation of shells can take place at room temperature. The intershell orientational melting of the nanoparticle is studied by molecular dynamics. The parameters of the Arrhenius formula for jumprotational intershell diffusion are calculated. The rotation of shells can be observed beginning from a temperature of 70 K. (C) 2000 Elsevier Science B.V.

引用

页码：355 / 362

页数：8

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