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This article is cited in 7 scientific papers (total in 7 papers)
Carbon systems
Hydrogen desorption from pentagraphane
L. A. Openov, A. I. Podlivaev National Engineering Physics Institute "MEPhI", Moscow
Abstract:
Thermally activated hydrogen desorption from pentagraphane is studied by atomistic computer simulation. Pentagraphane is a recently predicted quasi-two-dimensional hydrocarbon compound that represents a pentagraphene single layer, in which both sides are covered with hydrogen and the C–C bonds form a network of adjacent pentagons, whereas the hexagons characteristic of carbon nanostructures are lacking. The effect of hydrogen desorption on the electronic structure, phonon density of states, and Young's modulus are studied. The temperature dependence of the characteristic desorption time is determined by the molecular-dynamics method.
Received: 22.11.2018 Revised: 10.12.2018 Accepted: 17.12.2018
Citation:
L. A. Openov, A. I. Podlivaev, “Hydrogen desorption from pentagraphane”, Fizika i Tekhnika Poluprovodnikov, 53:5 (2019), 724–728; Semiconductors, 53:5 (2019), 717–721
Linking options:
https://www.mathnet.ru/eng/phts5527 https://www.mathnet.ru/eng/phts/v53/i5/p724
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Abstract page: | 44 | Full-text PDF : | 9 |
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