This article is cited in 5 papers

Low dimensional systems

Effect of hydrogen adsorption on the Stone–Wales transformation in small-diameter carbon nanotubes

L. A. Openov^a, A. I. Podlivaev<sup>ab

a</sup> National Engineering Physics Institute "MEPhI", Moscow
^b Research Institute for the Development of Scientific and Educational Potential of Youth, Moscow

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.

Received: 23.10.2017

DOI: 10.21883/FTT.2018.04.45695.302

 English version: Physics of the Solid State, 2018, 60:4, 799–803

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