Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/9147
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dc.contributor.authorBadalov, S. V.-
dc.contributor.authorYağmurcukardeş, Mehmet-
dc.contributor.authorPeeters, François M.-
dc.contributor.authorŞahin, Hasan-
dc.date.accessioned2020-07-25T22:07:29Z-
dc.date.available2020-07-25T22:07:29Z-
dc.date.issued2018-
dc.identifier.issn1932-7447-
dc.identifier.issn1932-7455-
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.8b07353-
dc.identifier.urihttps://hdl.handle.net/11147/9147-
dc.description.abstractUsing density functional theory based first-principles calculations, the effect of surface hydrogenation on the structural, dynamical, electronic, and mechanical properties of monolayer washboard-gallenene (w-gallenene) is investigated. It is found that the dynamically stabilized strained monolayer of w-gallenene has a metallic nonmagnetic ground state. Both one-sided and two-sided hydrogenations of w-gallenene suppress its dynamical instability even when unstrained. Unlike one-sided hydrogenated monolayer w-gallenene (os-w-gallenene), two-sided hydrogenated monolayer w-gallenene (ts-w-gallenene) possesses the same crystal structure as w-gallenene. Electronic band structure calculations reveal that monolayers of hydrogenated derivatives of w-gallenene exhibit also metallic nonmagnetic ground state. Moreover, the linear-elastic constants, in-plane stiffness and Poisson ratio, are enhanced by hydrogenation, which is opposite to the behavior of other hydrogenated monolayer crystals. Furthermore, monolayer w-gallenene and ts-w-gallenene remain dynamically stable up to relatively higher biaxial strains as compared to borophene. With its enhanced dynamical stability, robust metallic character, and enhanced linear-elastic properties, hydrogenated monolayer w-gallenene is a potential candidate for nanodevice applications as a two-dimensional flexible metal.en_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofJournal of Physical Chemistry Cen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleEnhanced stability of single-layer w-gallenene through hydrogenationen_US
dc.typeArticleen_US
dc.institutionauthorBadalov, S. V.-
dc.institutionauthorŞahin, Hasan-
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.volume122en_US
dc.identifier.issue49en_US
dc.identifier.startpage28302en_US
dc.identifier.endpage28309en_US
dc.identifier.wosWOS:000453488300053en_US
dc.identifier.scopus2-s2.0-85058139415en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1021/acs.jpcc.8b07353-
dc.relation.doi10.1021/acs.jpcc.8b07353en_US
dc.coverage.doi10.1021/acs.jpcc.8b07353en_US
local.message.claim2022-06-09T15:03:58.646+0300|||rp00609|||submit_approve|||dc_contributor_author|||None*
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
item.fulltextWith Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
crisitem.author.dept04.04. Department of Photonics-
crisitem.author.dept04.04. Department of Photonics-
Appears in Collections:Photonics / Fotonik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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