Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/7090
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dc.contributor.authorBafekry, A.-
dc.contributor.authorFaraji, M.-
dc.contributor.authorHoat, D. M.-
dc.contributor.authorShahrokhi, M.-
dc.contributor.authorFadlallah, M. M.-
dc.contributor.authorShojaei, F.-
dc.contributor.authorGogova, D.-
dc.date.accessioned2021-09-11T15:45:28Z-
dc.date.available2021-09-11T15:45:28Z-
dc.date.issued2021en_US
dc.identifier.issn0022-3727-
dc.identifier.issn1361-6463-
dc.identifier.urihttps://doi.org/10.1088/1361-6463/abdb6b-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/7090-
dc.description.abstractVery recently, the 2D form of MoSi2N4 has been successfully fabricated (Hong et al 2020 Science 369 670). Motivated by these recent experimental results, we investigate the structural, mechanical, thermal, electronic and optical properties of the MoSi2N4 monolayer. The mechanical study confirms the stability of the MoSi2N4 monolayer. The Young's modulus decreases by similar to 30%, while the Poisson's ratio increases by similar to 30% compared to the corresponding values of graphene. In addition, the MoSi2N4 monolayer's work function is very similar to that of phosphorene and MoS2 monolayers. The electronic structure shows that the MoSi2N4 monolayer is an indirect semiconductor with a band gaps of 1.79 (2.35) eV using the GGA (HSE06) functional. The thermoelectric performance of the MoSi2N4 monolayer has been revealed and a figure of merit slightly larger than unity at high temperatures is calculated. The optical analysis shows that the first absorption peak for in-plane polarization is located in the visible range of the spectrum, therefore, the MoSi2N4 monolayer is a promising candidate for advanced optoelectronic nanodevices. In summary, the fascinating MoSi2N4 monoloayer is a promising 2D material for many applications due to its unique physical properties.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 the Flemish Supercomputer Center (VSC) and TUBITAK ULAKBIM, High Performance and Grid Computing Center (Tr-Grid e-Infrastructure).en_US
dc.language.isoenen_US
dc.publisherIOP Publishing Ltden_US
dc.relation.ispartofJournal of Physics D-Applied Physicsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjecttwo-dimensional materials beyond grapheneen_US
dc.subjectoptical properties studyen_US
dc.subjecttheory and applicationsen_US
dc.subjectDFTen_US
dc.subjectThermalen_US
dc.subjectelectronic and photocatalytic propertiesen_US
dc.titleMoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical propertiesen_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.volume54en_US
dc.identifier.issue15en_US
dc.authorid0000-0002-8915-1125-
dc.authorid0000-0002-9297-7382-
dc.identifier.wosWOS:000613849300001en_US
dc.identifier.scopus2-s2.0-85101447942en_US
dc.institutionauthorFaraji, Mehrdad-
dc.identifier.doi10.1088/1361-6463/abdb6b-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.scopusqualityQ1-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextnone-
item.fulltextNo Fulltext-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.languageiso639-1en-
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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