Structural properties of potassium encapsulated in carbon nanotubes

被引：1
|
作者：
Lee, MY
Hwang, HJ
Lee, JH
Lee, HJ
Kang, JW [1 ]
机构：
[1] Chung Ang Univ, Dept Elect Engn, Seoul 156756, South Korea
[2] Sangmyung Univ, Dept Comp Syst, Cheonan 330720, South Korea
来源：
ON THE CONVERGENCE OF BIO-INFORMATION-, ENVIRONMENTAL-, ENERGY-, SPACE- AND NANO-TECHNOLOGIES, PTS 1 AND 2 | 2005年 / 277-279卷
关键词：
encapsulated ultra-thin potassium nanowires; carbon nanotube; molecular dynamics; atomistic simulation;
D O I：
10.4028/www.scientific.net/KEM.277-279.919
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We have investigated structural phases of potassium in carbon nanotubes using a structural optimization process applied to an atomistic simulation method. As the radius of the carbon nanotubes is increased, various structural phases ranging from an atomic strand to multi-shell packs composed of coaxial cylindrical shells and helical, layered, and crystalline structures are found to emerge. Numbers of helical atom rows composed of coaxial tubes and orthogonal vectors of a circular rolling of a triangular network can explain multi-shell phases of potassium in carbon nanotubes.
引用
收藏
页码：919 / 928
页数：10
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