Publication: Hydrogen Desorption from Pentagraphane
Дата
2019
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© 2019, Pleiades Publishing, Ltd.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.
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Openov, L. A. Hydrogen Desorption from Pentagraphane / Openov, L.A., Podlivaev, A.I. // Semiconductors. - 2019. - 53. - № 5. - P. 717-721. - 10.1134/S106378261905021X
URI
https://www.doi.org/10.1134/S106378261905021X
https://www.scopus.com/record/display.uri?eid=2-s2.0-85066115275&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000468888200029
https://openrepository.mephi.ru/handle/123456789/18069
https://www.scopus.com/record/display.uri?eid=2-s2.0-85066115275&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000468888200029
https://openrepository.mephi.ru/handle/123456789/18069