STRUCTURE AND ENERGETICS OF SINGLE AND MULTILAYER FULLERENE CAGES

被引：113

作者：

MAITI, A

BRABEC, CJ

BERNHOLC, J

机构：

[1] Department of Physics, North Carolina State University, Raleigh

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 70卷 / 20期

关键词：

D O I：

10.1103/PhysRevLett.70.3023

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Minimum energy structures for large carbon cages are investigated using realistic atomic potentials. Above a critical size of approximately 6000 there is a stability crossover from single to multilayer cages. The lowest energy atomic configuration of a cage of any size consists only of hexagons and pentagons and is polyhedral in shape. Lowest energy defects involve either rearrangements between pentagons and hexagons or 5-7-5 triplets. Simulated transmission electron microscopy images show that a polyhedral onion appears spheroidal when viewed along its highest symmetry axis, and polyhedral when viewed from a more general direction.

引用

页码：3023 / 3026

页数：4

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