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Atomic clusters
Decay dynamics of hydrogen clusters on surfaces of graphene and Stone–Wales graphene
A. I. Podlivaevab a National Engineering Physics Institute "MEPhI", Moscow
b Research Institute for the Development of Scientific and Educational Potential of Youth, Moscow
Abstract:
The thermal stability of hydrogen clusters disposed on surfaces of graphene and the Stone–Wales graphene that is a graphene allotrope discovered recently is studied by the molecular dynamics method. The studies are performed for hydrogen rings consisting of five, six, and seven atoms and also compact clusters consisting of 16 hydrogen atoms adsorbed on these carbon structures. The hydrogen cluster decay channels and the temperature dependences of their lifetimes are determined. The binding energies and the frequency factors in the Arrhenius law are found.
Keywords:
carbon, graphene, hydrogen, stability, molecular dynamics.
Received: 27.08.2020 Revised: 27.08.2020 Accepted: 30.08.2020
Citation:
A. I. Podlivaev, “Decay dynamics of hydrogen clusters on surfaces of graphene and Stone–Wales graphene”, Fizika Tverdogo Tela, 62:12 (2020), 2181–2187; Phys. Solid State, 62:12 (2020), 2452–2458
Linking options:
https://www.mathnet.ru/eng/ftt8236 https://www.mathnet.ru/eng/ftt/v62/i12/p2181
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Abstract page: | 63 | Full-text PDF : | 19 |
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