Publication:
Hydrogen Desorption from Pentagraphane

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dc.contributor.authorOpenov, L. A.
dc.contributor.authorPodlivaev, A. I.
dc.contributor.authorПодливаев, Алексей Игоревич
dc.date.accessioned2024-11-21T08:47:36Z
dc.date.available2024-11-21T08:47:36Z
dc.date.issued2019
dc.description.abstract© 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.
dc.format.extentС. 717-721
dc.identifier.citationOpenov, L. A. Hydrogen Desorption from Pentagraphane / Openov, L.A., Podlivaev, A.I. // Semiconductors. - 2019. - 53. - № 5. - P. 717-721. - 10.1134/S106378261905021X
dc.identifier.doi10.1134/S106378261905021X
dc.identifier.urihttps://www.doi.org/10.1134/S106378261905021X
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85066115275&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000468888200029
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/18069
dc.relation.ispartofSemiconductors
dc.titleHydrogen Desorption from Pentagraphane
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue5
oaire.citation.volume53
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