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Stable single helical C- and I-chains inside single-walled carbon nanotubes |
| Z Yao(姚震)1, C J Liu(刘春见)3, Y Li(李义)1, X D Jing(敬晓丹)1, F S Meng(孟凡顺)1, S P Zheng(郑士鹏)4, X Zhao(赵星)1, J H Li(李久会)1, Z Y Qiu(邱忠媛)1, Q Yuan(袁泉)1, W X Wang(王文新)1, L Bi(毕磊)1, H Liu(刘辉)1, Y P Zhang(张玉璞)1, B B Liu(刘冰冰)2 |
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;
4. Electric Engineering College, Liaoning University of Technology, Jinzhou 121001, China |
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Abstract 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.
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Received: 04 January 2016
Revised: 11 May 2016
Accepted manuscript online:
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PACS:
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61.46.-w
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(Structure of nanoscale materials)
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61.46.Fg
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(Nanotubes)
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61.46.Km
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(Structure of nanowires and nanorods (long, free or loosely attached, quantum wires and quantum rods, but not gate-isolated embedded quantum wires))
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62.23.Hj
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(Nanowires)
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| Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB808200), the National Natural Science Foundation of China (Grant Nos. 11504150 and 51320105007), and the Cheung Kong Scholars Program of China. |
Corresponding Authors:
Z Yao, B B Liu
E-mail: yaozhenjlu@163.com;liubb@jlu.edu.cn
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Cite this article:
Z Yao(姚震), C J Liu(刘春见), Y Li(李义), X D Jing(敬晓丹), F S Meng(孟凡顺), S P Zheng(郑士鹏), X Zhao(赵星), J H Li(李久会), Z Y Qiu(邱忠媛), Q Yuan(袁泉), W X Wang(王文新), L Bi(毕磊), H Liu(刘辉), Y P Zhang(张玉璞), B B Liu(刘冰冰) Stable single helical C- and I-chains inside single-walled carbon nanotubes 2016 Chin. Phys. B 25 096105
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