Email this article Effect of Hydrogen Adsorption on the Stone–Wales Transformation in Small-Diameter Carbon Nanotubes
- Authors: Openov L.A.1, Podlivaev A.I.1,2
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Affiliations:
- National Research Nuclear University “MEPhI”
- Research Institute for the Development of Scientific and Educational Potential of Youth
- Issue: Vol 60, No 4 (2018)
- Pages: 799-803
- Section: Low-Dimensional Systems
- URL: https://journal-vniispk.ru/1063-7834/article/view/202699
- DOI: https://doi.org/10.1134/S1063783418040224
- ID: 202699
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Abstract
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.
About the authors
L. A. Openov
National Research Nuclear University “MEPhI”
Author for correspondence.
Email: laopenov@gmail.com
Russian Federation, Moscow, 115409
A. I. Podlivaev
National Research Nuclear University “MEPhI”; Research Institute for the Development of Scientific and Educational Potential of Youth
Email: laopenov@gmail.com
Russian Federation, Moscow, 115409; Moscow, 119620
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