Electronic properties of graphene nanoribbons doped with zinc, cadmium, mercury atoms

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buir.contributor.authorÖzbay, Ekmel
buir.contributor.orcidÖzbay, Ekmel|0000-0003-2953-1828
dc.citation.epage129en_US
dc.citation.spage124en_US
dc.citation.volumeNumber104en_US
dc.contributor.authorÖmeroğlu, O.en_US
dc.contributor.authorKutlu, E.en_US
dc.contributor.authorNarin, P.en_US
dc.contributor.authorLisesivdin, S. B.en_US
dc.contributor.authorÖzbay, Ekmelen_US
dc.date.accessioned2019-02-21T16:01:57Z
dc.date.available2019-02-21T16:01:57Z
dc.date.issued2018en_US
dc.departmentNanotechnology Research Center (NANOTAM)en_US
dc.departmentDepartment of Physicsen_US
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.departmentInstitute of Materials Science and Nanotechnology(UNAM)
dc.description.abstractThe effect of substitutional impurities as Zinc (Zn), Cadmium (Cd) and Mercury (Hg) on electronic properties of graphene nanoribbons (GNRs) was investigated by using Density Functional Theory (DFT). A substantial change in the electronic properties of GNR structures was observed while changing the position of dopant atom from the edge to the center of armchair graphene nanoribbons (AGNRs) and zigzag graphene nanoribbons (ZGNRs). The calculations are shown that the electronic band gap of GNRs can be controlled depending on the position of dopant atoms. The calculated electronic band structures for both AGNRs and ZGNRs show spin-dependent metallic or semiconductor behavior according to the position of dopant atoms. From the Density of States (DOS) information, quasi-zero-dimensional (Q0D) and quasi-one-dimensional (Q1D) type behaviors are observed. It is shown that because the doped ZGNRs had the lowest total energies, ZGNRs are energetically more stable than AGNRs.
dc.description.sponsorshipThis work was supported by TUBITAK under Project No. 116F197 . E.O. acknowledges partial support from the Turkish Academy of Sciences . S.B.L. was supported in part by the Distinguished Young Scientist Award of Turkish Academy of Sciences ( TUBA-GEBIP 2016 ).
dc.embargo.release2020-10-01en_US
dc.identifier.doi10.1016/j.physe.2018.07.017
dc.identifier.issn1386-9477
dc.identifier.urihttp://hdl.handle.net/11693/49943
dc.language.isoEnglish
dc.publisherElsevier B.V.
dc.relation.isversionofhttps://doi.org/10.1016/j.physe.2018.07.017
dc.relation.projectTürkiye Bilimler Akademisi, TÜBA: TUBA-GEBIP 2016 - 116F197
dc.source.titlePhysica E: Low-Dimensional Systems and Nanostructuresen_US
dc.subjectCadmiumen_US
dc.subjectDFTen_US
dc.subjectDopingen_US
dc.subjectGraphene nanoribbonen_US
dc.subjectMercuryen_US
dc.subjectZincen_US
dc.titleElectronic properties of graphene nanoribbons doped with zinc, cadmium, mercury atomsen_US
dc.typeArticleen_US

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