Study of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructure

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dc.contributor.authorKurban, M.
dc.contributor.authorGündüz, B.
dc.date.accessioned2020-01-29T18:53:20Z
dc.date.available2020-01-29T18:53:20Z
dc.date.issued2018
dc.departmentFakülteler, Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümüen_US
dc.description.abstractThis work reports the change in the structural, electronic, spectroscopic and optical properties of N,N?-Dipentyl-3,4,9,10-perylenedicarboximide (PTCDI-C5) small molecule via experimental and theoretical techniques. Experimental and simple models were taken into consideration to calculate the refractive index (n) of PTCDI-C5 from its energy gap (Eg) data. Electrical conductance was recorded. UV, FT-IR and FT-Raman spectra characteristics and the electronic properties of PTCDI-C5 were also recorded time-dependent (TD) DFT approach based on optimized structure with different solvent environments. The results herein obtained reveal that PTCDI-C5 material is suitable for UV and chemical sensors due to its good optoelectronic paramaters. © 2017 Elsevier B.V.en_US
dc.description.sponsorshipFirat University Scientific Research Projects Management Unit 0001en_US
dc.description.sponsorshipThe numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Centre (TRUBA resources). This study was supported by The Management Unit of Scientific Research Projects of Muş Alparslan University (MUSBAP) under Project 0001.en_US
dc.identifier.doi10.1016/j.cplett.2017.10.053
dc.identifier.endpage21en_US
dc.identifier.issn0009-2614
dc.identifier.scopus2-s2.0-85032464600
dc.identifier.scopusqualityQ1
dc.identifier.startpage14en_US
dc.identifier.urihttps://dx.doi.org/10.1016/j.cplett.2017.10.053
dc.identifier.urihttps://hdl.handle.net/20.500.12639/969
dc.identifier.volume691en_US
dc.identifier.wosWOS:000418590200003
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier B.V.en_US
dc.relation.ispartofChemical Physics Lettersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDensity-functional theoryen_US
dc.subjectElectrical conductivityen_US
dc.subjectElectronic structureen_US
dc.subjectOptical propertiesen_US
dc.subjectOrganic nanostructuresen_US
dc.subjectRefractive indexen_US
dc.titleStudy of structural, optical properties and electronic structure of PTCDI-C5 organic nanostructureen_US
dc.typeArticle

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