Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8180
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dc.contributor.authorBafekry, A.-
dc.contributor.authorStampfl, C.-
dc.contributor.authorFaraji, M.-
dc.contributor.authorMortazavi, B.-
dc.contributor.authorFadlallah, M. M.-
dc.contributor.authorNguyen, Chuong, V-
dc.contributor.authorFazeli, S.-
dc.date.accessioned2022-01-15T13:00:32Z-
dc.date.available2022-01-15T13:00:32Z-
dc.date.issued2022-
dc.identifier.issn0022-3727-
dc.identifier.issn1361-6463-
dc.identifier.urihttps://doi.org/10.1088/1361-6463/ac45ad-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/8180-
dc.description.abstractVery recently, two-dimensional (2D) iodinene, a novel layered and buckled structure has been successfully fabricated (Qian et al 2020 Adv. Mater. 32 2004835). Motivated by this latest experimental accomplishment, for the first time we conduct density functional theory, first-principles calculations to explore the structural, electronic, and optical properties of monolayer, few-layer and bulk iodinene. Unlike the majority of monoelemental 2D lattices, iodinene is predicted to be an intrinsic semiconductor. On the basis of calculations using the generalized gradient approximation of Perdew-Burke-Ernzerhof for the exchange-correlation functional and the Heyd-Scuseria-Ernzerhof (HSE06) functional, it is shown that the electronic bandgap of iodinene decreases with increasing the number of atomic layers. Our HSE06 results reveal that the bandgap of iodinene decreases from 2.08 to 1.28 eV as the number of atomic layers change from one to five, highlighting the finely tunable bandgap. The optical study shows the monolayer has the ability to absorb a wide range of ultraviolet light, more than multilayers and bulk iodinene. As the number of layers increases, the absorption spectra exhibits a blue shift relative to monolayer iodinene. This study confirms the remarkable prospect for the application of iodinene in nanoelectronics and optoelectronics owing to its intrinsic semiconducting nature.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).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/closedAccessen_US
dc.subjectiodineneen_US
dc.subjectfirst-principles calculationsen_US
dc.subject2D materialsen_US
dc.subjectelectronic propertiesen_US
dc.subjectsemiconductoren_US
dc.subjectHoneycomb-Likeen_US
dc.subjectGrapheneen_US
dc.titleMonoelemental two-dimensional iodinene nanosheets: a first-principles study of the 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.volume55en_US
dc.identifier.issue13en_US
dc.authoridBafekry, Asadollah / 0000-0002-9297-7382-
dc.identifier.wosWOS:000736756000001en_US
dc.institutionauthorFaraji, Mehrdad-
dc.identifier.doi10.1088/1361-6463/ac45ad-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
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
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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