Thermal Stability of Carbinofullerenes C38, C62, and C64

Autor: A. I. Podlivaev
Rok vydání: 2020
Předmět:
Zdroj: Physics of the Solid State. 62:1109-1115
ISSN: 1090-6460
1063-7834
DOI: 10.1134/s1063783420060220
Popis: 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.
Databáze: OpenAIRE