Helical Iodine Chains inside Single-Walled Boron Nitride Nanotubes: Finding the Optimal Helical Radius and Helical Angles

1
Zhen Yao
Zhen Yao
2
Chun-Jian Liu
Chun-Jian Liu
3
Li-Qiang Feng
Li-Qiang Feng
4
Yi Li
Yi Li
5
Zhong-Li Wu
Zhong-Li Wu
1 Liaoning University of Technology

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The helicity of stable single, double, and triple helical iodine chains inside singe-walled boron nitride nanotubes is studied using the calculation of the systematic interaction energy. The results indicate that the optimal helical radius increases linearly with the radius of the tube. Hence, there is a constant distance between the I-chain and the tube’s wall. The optimal helical angle depends on the inter-chain interaction. It is affected, however, by the tube’s confinement effect: a small opt(φ) can be induced by large inter-chain for the same tube or a large tube for the same chain structure. The helicity of the encapsulated I-chains is insensitive to the tube’s chirality but depends strongly on the tube diameter.

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No external funding was declared for this work.

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The authors declare no conflict of interest.

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No ethics committee approval was required for this article type.

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Not applicable for this article.

Zhen Yao. 2016. \u201cHelical Iodine Chains inside Single-Walled Boron Nitride Nanotubes: Finding the Optimal Helical Radius and Helical Angles\u201d. Global Journal of Science Frontier Research - A: Physics & Space Science GJSFR-A Volume 16 (GJSFR Volume 16 Issue A4): .

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GJSFR Volume 16 Issue A4
Pg. 13- 22
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Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

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GJSFR-A Classification: FOR Code: 020399p
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v1.2

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November 9, 2016

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English

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The helicity of stable single, double, and triple helical iodine chains inside singe-walled boron nitride nanotubes is studied using the calculation of the systematic interaction energy. The results indicate that the optimal helical radius increases linearly with the radius of the tube. Hence, there is a constant distance between the I-chain and the tube’s wall. The optimal helical angle depends on the inter-chain interaction. It is affected, however, by the tube’s confinement effect: a small opt(φ) can be induced by large inter-chain for the same tube or a large tube for the same chain structure. The helicity of the encapsulated I-chains is insensitive to the tube’s chirality but depends strongly on the tube diameter.

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Helical Iodine Chains inside Single-Walled Boron Nitride Nanotubes: Finding the Optimal Helical Radius and Helical Angles

Zhen Yao
Zhen Yao Liaoning University of Technology
Chun-Jian Liu
Chun-Jian Liu
Li-Qiang Feng
Li-Qiang Feng
Yi Li
Yi Li
Zhong-Li Wu
Zhong-Li Wu

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