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
收藏
页码：167 / 174
页数：8
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