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Morse parameters for the interaction of metals with graphene and silicene

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dc.contributor.authorGalashev, A. Y.
dc.contributor.authorKatin, K. P.
dc.contributor.authorMaslov, M. M.
dc.contributor.authorКатин, Константин Петрович
dc.contributor.authorМаслов, Михаил Михайлович
dc.date.accessioned2024-11-18T15:42:53Z
dc.date.available2024-11-18T15:42:53Z
dc.date.issued2019
dc.description.abstract© 2018 Elsevier B.V. We present Morse parameters for the interaction of graphene and silicene surfaces with the atoms of practically important metals Ni, Ag, and Li. The parameters’ values are derived from the dispersion corrected density functional calculations. Two possible cases of sp2-hybridized C/Si atoms in the unbroken graphene/silicene sheets and sp-hybridized atoms near the vacancies are considered. Proposed Morse parameters’ sets reproduce binding energies, bond lengths and oscillation frequencies of metal atoms adsorbed on the hollow positions over the rings of C60 and Si60 fullerenes. They also reproduce well the same quantities for the substituted C59M and Si59M fullerenes (M = Ni, Ag, Li).
dc.format.extentС. 252-258
dc.identifier.citationGalashev, A. Y. Morse parameters for the interaction of metals with graphene and silicene / Galashev, M. M. // Physics Letters, Section A: General, Atomic and Solid State Physics. - 2019. - 383. -№ 2-3. - P. 252-258. - 10.1016/j.physleta.2018.10.025
dc.identifier.doi10.1016/j.physleta.2018.10.025
dc.identifier.urihttps://www.doi.org/10.1016/j.physleta.2018.10.025
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85055487101&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000451654800024
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/16344
dc.relation.ispartofPhysics Letters, Section A: General, Atomic and Solid State Physics
dc.titleMorse parameters for the interaction of metals with graphene and silicene
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue2-3
oaire.citation.volume383
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