Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8178
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dc.contributor.authorBafekry, A.-
dc.contributor.authorFaraji, M.-
dc.contributor.authorFadlallah, M. M.-
dc.contributor.authorHoat, D. M.-
dc.contributor.authorJappor, H. R.-
dc.contributor.authorSarsari, I. Abdolhosseini-
dc.contributor.authorGhergherehchi, M.-
dc.date.accessioned2022-01-15T13:00:32Z-
dc.date.available2022-01-15T13:00:32Z-
dc.date.issued2021-
dc.identifier.issn1463-9076-
dc.identifier.issn1463-9084-
dc.identifier.urihttps://doi.org/10.1039/d1cp03706d-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/8178-
dc.description.abstractRecent developments in the synthesis of highly crystalline ultrathin BiTeX (X = Br, Cl) structures [Debarati Hajra et al., ACS Nano 14, 15626 (2020)] have led to the exploration of the atomic structure, dynamical stability, and electronic, optical, and thermoelectric properties of SbXY (X = Se, Te; Y = Br, I) monolayers via density functional calculations. The calculated phonon spectrum, elastic stability conditions, and cohesive energy verified the stability of the studied SbXY monolayers. The mechanical properties reveal that all studied monolayers are stable and brittle. Based on PBE (PBE + SOC) functional calculations, the SbXY monolayers are semiconductors with indirect bandgaps. The calculated bandgaps using HSE (HSE + SOC) for SbSeBr, SbSeI, SbTeBr, and SbTeI monolayers are between 1.45 and 1.91 eV, which are appealing for applications in nanoelectronic devices. The signature of the Rashba effect appears in the SbXY monolayer. The SbXY monolayers are visible-light active. Hole doping can be an efficient way to increase the electricity production of SbXY monolayers from waste heat energy. This study suggests that SbXY (X = Se, Te; Y = Br, I) monolayers represent promising new electronic, optical, and energy conversion systems.en_US
dc.description.sponsorshipNational Research Foundation of Korea (NRF) - Korea government (MSIT) [NRF-2015M2B2A4033123]en_US
dc.description.sponsorshipThis work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2015M2B2A4033123). Computational resources were provided by TUBITAK ULAKBIM, at the High Performance and Grid Computing Center (TR-Grid e-Infrastructure).en_US
dc.language.isoenen_US
dc.publisherRoyal Soc Chemistryen_US
dc.relation.ispartofPhysical Chemistry Chemical Physicsen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject1St Principlesen_US
dc.subjectHoneycomb-Likeen_US
dc.subject1St-Principlesen_US
dc.subjectSbseien_US
dc.subjectExfoliationen_US
dc.subjectPerformanceen_US
dc.subjectMonolayersen_US
dc.subjectGrapheneen_US
dc.subjectFielden_US
dc.titleElectronic, optical and thermoelectric properties of a novel two-dimensional SbXY (X = Se, Te; Y = Br, I) family: ab initio perspectiveen_US
dc.typeArticleen_US
dc.departmentFaculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineeringen_US
dc.departmentFakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümütr_TR
dc.identifier.volume23en_US
dc.identifier.issue45en_US
dc.identifier.startpage25866en_US
dc.identifier.endpage25876en_US
dc.authoridJappor, Hamad Rahman / 0000-0002-8885-3985-
dc.identifier.wosWOS:000717637100001en_US
dc.identifier.scopus2-s2.0-85120448608en_US
dc.institutionauthorFaraji, Mehrdad-
dc.identifier.pmid34766178en_US
dc.identifier.doi10.1039/d1cp03706d-
dc.authorwosidJappor, Hamad Rahman / K-6055-2013-
dc.authorscopusid57208817264-
dc.authorscopusid57215436031-
dc.authorscopusid57103855100-
dc.authorscopusid57200373877-
dc.authorscopusid50861445000-
dc.authorscopusid57131011300-
dc.authorscopusid35275008800-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.scopusqualityQ2-
item.fulltextNo Fulltext-
item.grantfulltextnone-
item.openairetypeArticle-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.languageiso639-1en-
item.cerifentitytypePublications-
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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