Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/10419
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dc.contributor.authorAkyol, Cansutr
dc.contributor.authorBaşkurt, Mehmettr
dc.contributor.authorŞahin, Hasantr
dc.date.accessioned2021-01-24T18:43:08Z-
dc.date.available2021-01-24T18:43:08Z-
dc.date.issued2020-
dc.identifier.issn2050-7526-
dc.identifier.issn2050-7534-
dc.identifier.urihttps://doi.org/10.1039/d0tc03062g-
dc.identifier.urihttps://hdl.handle.net/10419-
dc.description.abstractBy performing density functional theory-based calculations, possible stable ultra-thin crystal structures of SrCl(2)are investigated. Phonon calculations reveal that, among the possible crystal structures, three different phases; namely 1H, 1T, and square, are dynamically stable. In addition,ab initiomolecular dynamics calculations show that these three phases are thermally stable up to well above room temperature. Another important stability factor of crystals, the chemical inertness against abundant molecules in the atmosphere, such as N-2, O-2, H2O, and CO2, is also investigated. The analysis shows that SrCl(2)single-layers are chemically stable against these molecules. Moreover, it is determined that in contact with H2O and CO2, ultra-thin SrCl(2)sheets display unique electronic features, allowing them to be used in sensing applications. It is also shown that single layers of SrCl(2)crystals, all having a wide electronic band gap, can form type-I and type-II vertical van der Waals heterostructures with well-known 2D materials such as MoS2, WSe2, and h-BN.en_US
dc.description.sponsorshipComputational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. Acknowledges financial support from the TUBITAK under the project number 117F095. H. S. acknowledges support from Turkish Academy of Sciences under the GEBIP program.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.ispartofJournal of Materials Chemistry Cen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleNovel ultra-thin two-dimensional structures of strontium chlorideen_US
dc.typeArticleen_US
dc.institutionauthorAkyol, Cansutr
dc.institutionauthorBaşkurt, Mehmettr
dc.institutionauthorŞahin, Hasantr
dc.departmentİzmir Institute of Technology. Photonicsen_US
dc.identifier.volume8en_US
dc.identifier.issue36en_US
dc.identifier.startpage12527en_US
dc.identifier.endpage12532en_US
dc.identifier.wosWOS:000572343400013en_US
dc.identifier.scopus2-s2.0-85091872452en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıtr
dc.identifier.doi10.1039/d0tc03062g-
dc.relation.doi10.1039/d0tc03062gen_US
dc.coverage.doi10.1039/d0tc03062gen_US
dc.identifier.wosqualityQ1-
dc.identifier.scopusqualityQ1-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.cerifentitytypePublications-
item.grantfulltextopen-
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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