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.
Citation:
L. A. Openov, A. I. Podlivaev, “Effect of hydrogen adsorption on the Stone–Wales transformation in small-diameter carbon nanotubes”, Fizika Tverdogo Tela, 60:4 (2018), 795–798; Phys. Solid State, 60:4 (2018), 799–803
\Bibitem{OpePod18}
\by L.~A.~Openov, A.~I.~Podlivaev
\paper Effect of hydrogen adsorption on the Stone--Wales transformation in small-diameter carbon nanotubes
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 4
\pages 795--798
\mathnet{http://mi.mathnet.ru/ftt9249}
\crossref{https://doi.org/10.21883/FTT.2018.04.45695.302}
\elib{https://elibrary.ru/item.asp?id=32739858}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 4
\pages 799--803
\crossref{https://doi.org/10.1134/S1063783418040224}
Linking options:
https://www.mathnet.ru/eng/ftt9249
https://www.mathnet.ru/eng/ftt/v60/i4/p795
This publication is cited in the following 5 articles:
A. I. Podlivaev, K. S. Grishakov, K. P. Katin, M. M. Malov, “Interlayer heat conductivity and thermal stability of distorted bilayer graphene”, JETP Letters, 113:3 (2021), 169–175
A. I. Podlivaev, “Thermal stability of carbinofullerenes C38, C62 and C64”, Phys. Solid State, 62:6 (2020), 1109–1115
A. I. Podlivaev, “Decay dynamics of hydrogen clusters on surfaces of graphene and Stone–Wales graphene”, Phys. Solid State, 62:12 (2020), 2452–2458
A. I. Podlivaev, L. A. Openov, “C20 carbinofullerene chains”, Phys. Solid State, 61:4 (2019), 680–685
L. A. Openov, A. I. Podlivaev, “C–C20 carbyne-carbynofullerene chains”, Phys. Solid State, 61:12 (2019), 2553–2559