Semi-Empirical Investigation of Boron Nanotubes and Some Structure-Modification Composites on Their Base

被引：1
|
作者：
Zaporotskova, I. V. [1 ]
Perevalova, E. V. [1 ]
Zaporotskov, P. A. [1 ]
机构：
[1] Volgograd State Univ, Volgograd 400062, Russia
来源：
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES | 2010年 / 18卷 / 4-6期
关键词：
Boron nanotubes; Energy of deformation; Ionic-Building Covalent Cyclic Cluster model;
D O I：
10.1080/1536383X.2010.488586
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：
Computations of single-walled boron nanotubes (n, n) and (n, 0) types have been carried out within the framework of the Ionic-Building Covalent Cyclic Cluster model and semi-empirical quantum-chemical MNDO scheme. The basic electron-energy characteristics of boron nanotubes have been found and boron nanotubes with various defects were investigated.
引用
收藏
页码：579 / 583
页数：5
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