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Enhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation

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dc.contributor.authorKochaev, A.
dc.contributor.authorMeftakhutdinov, R.
dc.contributor.authorSibatov, R.
dc.contributor.authorEfimov, V.
dc.contributor.authorKatin, K.
dc.contributor.authorMaslov, M.
dc.contributor.authorКатин, Константин Петрович
dc.contributor.authorМаслов, Михаил Михайлович
dc.date.accessioned2024-11-29T16:16:29Z
dc.date.available2024-11-29T16:16:29Z
dc.date.issued2021
dc.description.abstract© 2021 Elsevier B.V.Recently, a new compound, borophene-graphene vertical heterostructure, has been grown successfully on argent substrate. Unlike van der Waals heterostructures composed of two-dimensional (2D) materials, borophene is covalently bound to graphene. It is assumed that hydrogen and fluorine doping can significantly expand applications of this material. Here, we provide a detailed study of H- and F-passivated borophene-graphene layers. Structural, dynamic, electronic, optic, elastic, and piezoelectric properties are analyzed. Through DFT calculation, we show that the type of doping determines the strength of interlayer interaction in the proposed borophene-graphene materials. It turned out the band structure of the borophene-graphene can be tuned by passivating but only three of the six considered heterostructures are dynamically stable. Possible applications in acousto- and optoelectronics of stable materials with high values of piezoelectric constants and absorption coefficients are shortly discussed.
dc.identifier.citationEnhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation / Kochaev, A. [et al.] // Applied Surface Science. - 2021. - 562. - 10.1016/j.apsusc.2021.150150
dc.identifier.doi10.1016/j.apsusc.2021.150150
dc.identifier.urihttps://www.doi.org/10.1016/j.apsusc.2021.150150
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85107671313&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000663747500003
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/24186
dc.relation.ispartofApplied Surface Science
dc.titleEnhanced properties of covalently coupled borophene-graphene layers through fluorination and hydrogenation
dc.typeArticle
dspace.entity.typePublication
oaire.citation.volume562
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