Abstract:
The thermal stability of recently predicted carbinofullerenes C$_{38}$, C$_{62}$ and C$_{64}$ was examined using the molecular dynamics method. Their decomposition channels and temperature dependences of the lifetime were characterized. The activation energies and frequency factors in the Arrhenius law were determined. New isomers of carbinofullerenes C$_{38}$ and C$_{62}$, which are more thermally stable than the initial carbinofullerenes, were found.
This study was supported by the Russian Foundation for Basic Research (project no. 18-02-00278-а) and by the Ministry of Science and Higher Education of the Russian Federation as part of the Competitiveness Enhancement Program of the National Research Nuclear University MEPhI.
Citation:
A. I. Podlivaev, “Thermal stability of carbinofullerenes C$_{38}$, C$_{62}$ and C$_{64}$”, Fizika Tverdogo Tela, 62:6 (2020), 979–985; Phys. Solid State, 62:6 (2020), 1109–1115
\Bibitem{Pod20}
\by A.~I.~Podlivaev
\paper Thermal stability of carbinofullerenes C$_{38}$, C$_{62}$ and C$_{64}$
\jour Fizika Tverdogo Tela
\yr 2020
\vol 62
\issue 6
\pages 979--985
\mathnet{http://mi.mathnet.ru/ftt8415}
\crossref{https://doi.org/10.21883/FTT.2020.06.49361.014}
\elib{https://elibrary.ru/item.asp?id=43800514}
\transl
\jour Phys. Solid State
\yr 2020
\vol 62
\issue 6
\pages 1109--1115
\crossref{https://doi.org/10.1134/S1063783420060220}
Linking options:
https://www.mathnet.ru/eng/ftt8415
https://www.mathnet.ru/eng/ftt/v62/i6/p979
This publication is cited in the following 2 articles:
A. I. Podlivaev, K. S. Grishakov, K. P. Katin, M. M. Maslov, “Stone–wales bilayer graphene: structure, stability, and interlayer heat transfer”, JETP Letters, 114:3 (2021), 143–149
A. I. Podlivaev, “Thermal stability of hydrogen clusters at graphene and Stone–Wales graphene surfaces”, JETP Letters, 111:11 (2020), 613–618