The structure of (C-60)(N) clusters

被引：58

作者：

Doye, JPK

Wales, DJ

机构：

[1] University Chemical Laboratory, Cambridge CB2 1EW, Lensfield Road

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 262卷 / 1-2期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/0009-2614(96)01039-1

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：

We present likely candidates for the lowest energy minima of (C-60)(N) clusters with N less than or equal to 80 modelled by the Girifalco potential. For N > 13 the clusters exhibit decahedral and close-packed structures, rather than icosahedral. This is a consequence of the short range of attraction of the C-60 intermolecular potential relative to the equilibrium pair separation.

引用

页码：167 / 174

页数：8

共 35 条

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