Publication: C-C-20 Carbyne-Carbinofullerene Chains
Дата
2019
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Аннотация
The results of computer simulation of a new one-dimensional carbon structure representing chains composed of C-20 carbinofullerene fragments linked with carbon atoms are given. The bond energy values are determined. Their thermal stability is studied by the method of molecular dynamics. The tensile strength of these chains is also studied and compared to the tensile strength of C-20 carbinofullerene chains without intermediate carbon atoms. It is shown that the fusion of neighboring carbinofullerene moieties is a preferred channel for thermal decomposition and the separation of terminal carbinofullerene moieties from the chain is a preferable channel for deformational decay. The ultimate strains of the chains and the temperature dependences of their lifetime until the time of decay are determined. The values of activation energies and frequency factors of the Arrhenius law are determined for the decay process.
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Цитирование
Openov, LA. C-C-20 Carbyne-Carbinofullerene Chains / Openov, LA, Podlivaev, AI // Physics of the Solid State. - 2019. - 61. - № 12. - P. 2553-2559. - 10.1134/S1063783419120345
URI
https://www.doi.org/10.1134/S1063783419120345
https://www.scopus.com/record/display.uri?eid=2-s2.0-85086221322&origin=resultslist
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https://openrepository.mephi.ru/handle/123456789/19454
https://www.scopus.com/record/display.uri?eid=2-s2.0-85086221322&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000515346600060
https://openrepository.mephi.ru/handle/123456789/19454