电邮这篇文章 Effect of Hydrogen Adsorption on the Stone–Wales Transformation in Small-Diameter Carbon Nanotubes
- 作者: Openov L.A.1, Podlivaev A.I.1,2
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隶属关系:
- National Research Nuclear University “MEPhI”
- Research Institute for the Development of Scientific and Educational Potential of Youth
- 期: 卷 60, 编号 4 (2018)
- 页面: 799-803
- 栏目: Low-Dimensional Systems
- URL: https://bakhtiniada.ru/1063-7834/article/view/202699
- DOI: https://doi.org/10.1134/S1063783418040224
- ID: 202699
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详细
The effect of hydrogenation of (4, 0) and (3, 0) carbon nanotubes on the Stone–Wales transformation is studied in the framework of the nonorthogonal tight-binding model. It is shown that the atomic hydrogen adsorption can lead to both a decrease and an increase in the barriers for the direct and inverse transformations depending on the orientation of a rotating C–C bond with respect to the nanotube axis. The characteristic times of formation and annealing the Stone–Wales defects have been estimated. The Young’s moduli have been calculated.
作者简介
L. Openov
National Research Nuclear University “MEPhI”
编辑信件的主要联系方式.
Email: laopenov@gmail.com
俄罗斯联邦, Moscow, 115409
A. Podlivaev
National Research Nuclear University “MEPhI”; Research Institute for the Development of Scientific and Educational Potential of Youth
Email: laopenov@gmail.com
俄罗斯联邦, Moscow, 115409; Moscow, 119620
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