Abstract
The thermal stability of recently predicted carbinofullerenes C38, C62, and C64 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 C38 and C62, which are more thermally stable than the initial carbinofullerenes, were found.
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ACKNOWLEDGMENTS
The author wishes to thank the late L.A. Openov, with whom he started the work on carbinofullerenes.
Funding
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.
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Translated by D. Safin
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Podlivaev, A.I. Thermal Stability of Carbinofullerenes C38, C62, and C64. Phys. Solid State 62, 1109–1115 (2020). https://doi.org/10.1134/S1063783420060220
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DOI: https://doi.org/10.1134/S1063783420060220