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Stabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation

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dc.contributor.authorKochaev, A.
dc.contributor.authorMaslov, M.
dc.contributor.authorKatin, K.
dc.contributor.authorEfimov, V.
dc.contributor.authorEfimova, I.
dc.contributor.authorМаслов, Михаил Михайлович
dc.date.accessioned2024-12-25T16:20:44Z
dc.date.available2024-12-25T16:20:44Z
dc.date.issued2022
dc.description.abstractUnilateral surface passivation by hydrogen atoms is considered as an effective way to stabilize the borophene-graphene with periodic perforation. In the absence of hydrogen, a transition from porous graphene to graphenylene is observed. In the passivation by atomic hydrogen (H-passivated) porous borophene-graphene, the covalent and van der Waals forces are continuing their efforts between boron and carbon layers. The stability is confirmed by ab initio calculations of the cohesive energy and phonon spectrum. Using two calculation schemes, it is shown the semiconductor nature of the electronic properties, mainly due to boron sites. The elastic response is much weaker than that of borophene-graphene, but the out-of-plane piezoelectric effect is stronger. The optical properties are of particular interest mainly due to the absorption peak values in the optical range. © 2022 Elsevier Ltd
dc.identifier.citationStabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation / Kochaev, A. [et al.] // Materials Today Nano. - 2022. - 20. - 10.1016/j.mtnano.2022.100247
dc.identifier.doi10.1016/j.mtnano.2022.100247
dc.identifier.urihttps://www.doi.org/10.1016/j.mtnano.2022.100247
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85136206762&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000848625600001
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/28175
dc.relation.ispartofMaterials Today Nano
dc.titleStabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume20
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relation.isAuthorOfPublication.latestForDiscoveryc111d069-7969-45a7-9a3e-e187a7a11bf1
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