Numerical generation of nanotube caps

被引：9
|
作者：
Astakhova, TY
Buzulukova, NY
Vinogradov, GA
Osawa, E
机构：
[1] Inst Biochem Phys, Moscow 117334, Russia
[2] Toyohashi Univ Technol, Dept Knowledge Based Informat Engn, Toyohashi, Aichi 441, Japan
来源：
FULLERENE SCIENCE AND TECHNOLOGY | 1999年 / 7卷 / 02期
关键词：
D O I：
10.1080/10641229909350281
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：
A new method for the numerical generation of nanotube caps based on unfolding of caps onto honeycomb lattice is developed. Expressions connecting the components of the tubular vector and coordinates of pentagonal defects on the honeycomb lattice are derived. Numerical solutions of the Diophantine equations give a full set of all possible nanotube caps. We find seven caps with isolated pentagons for the (10,0) nanotube (instead of the known three), and one cap for the (9,1) nanotube.
引用
收藏
页码：223 / 237
页数：15
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