Abstract
The thermal stability of recently predicted quasi-fullerenes С20, С42, С48, and С60 is studied by the method of molecular dynamics. The routes of their decomposition and the temperature dependences of their lifetimes are determined. The activation energy and frequency factor values that appear in the Arrhenius law are found. New isomers are detected.
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ACKNOWLEDGMENTS
This work was supported by the Russian Foundation for Basic Research (grant no. 18-02-00278-a) and by the Ministry of Education and Science of the Russian Federation within the Program for Competitive Growth of the National Research Nuclear University MIPhI. We thank J. Muñiz for providing detailed information on the atomic structure of quasi-fullerenes studied in this work.
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Podlivaev, A.I., Openov, L.A. On the Thermal Stability of Some Quasi-Fullerenes. Phys. Solid State 61, 474–479 (2019). https://doi.org/10.1134/S1063783419030260
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DOI: https://doi.org/10.1134/S1063783419030260