Stable single helical C-and I-chains inside single-walled carbon nanotubes

The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes（SWCNTs）is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces...

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Published inChinese physics B Vol. 25; no. 9; pp. 446 - 451
Main Author 姚震 刘春见 李义 敬晓丹 孟凡顺 郑士鹏 赵星 李久会 邱忠媛 袁泉 王文新 毕磊 刘辉 张玉璞 刘冰冰
Format Journal Article
LanguageEnglish
Published 01.09.2016
Subjects
SWCNTs
单壁碳纳米管
单螺旋
相互作用能
稳定
范德瓦尔斯
螺旋结构
计算系统
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ISSN1674-1056
2058-3834
DOI10.1088/1674-1056/25/9/096105

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Summary:The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes（SWCNTs）is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.
Bibliography:Z Yao ,C JLiu, Y Li etal（ 1 College of Science, Liaoning University of Technology, Jinzhou 121001, China 2 State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China 3 College of Mathematics and Physics, Bohai University, Jinzhou 121001, China 4Electric Engineering College, Liaoning University of Technology, Jinzhou 121001, China）
nanotube peapod carbon chain iodine chain
11-5639/O4
The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes（SWCNTs）is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.
ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/25/9/096105