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AA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties

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dc.contributor.authorKochaev, A.
dc.contributor.authorMeftakhutdinov, R.
dc.contributor.authorKatin, K.
dc.contributor.authorMaslov, M.
dc.contributor.authorКатин, Константин Петрович
dc.contributor.authorМаслов, Михаил Михайлович
dc.date.accessioned2024-11-26T15:08:02Z
dc.date.available2024-11-26T15:08:02Z
dc.date.issued2020
dc.description.abstractIn this Letter, we study the structural, electronic, and elastic properties of single-layer striped borophene stacked on top of single-layer graphene. Through DFT calculation, we show that both the properties of striped borophene and graphene are not fully preserved in the novel heterostructure, which obviously depends on the nature of the chemical bond between the layers. The obtained phonon spectrum confirms the stability of this compound. The divergence of branches in the band structure appears below the Fermi level in the K point in the first Brillouin zone. Moreover, this heterostructure possesses excellent elastic properties and can be considered for use in the field of 2D acousto- and optoelectronics.
dc.format.extentС. 5668-5673
dc.identifier.citationAA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties / Kochaev, A. [et al.] // Journal of Physical Chemistry Letters. - 2020. - 11. - № 14. - P. 5668-5673. - 10.1021/acs.jpclett.0c01443
dc.identifier.doi10.1021/acs.jpclett.0c01443
dc.identifier.urihttps://www.doi.org/10.1021/acs.jpclett.0c01443
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85088243579&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000551546100041
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/22065
dc.relation.ispartofJournal of Physical Chemistry Letters
dc.titleAA-Stacked Borophene-Graphene Bilayer with Covalent Bonding: Ab Initio Investigation of Structural, Electronic and Elastic properties
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue14
oaire.citation.volume11
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