NTCDA compounds of optoelectronic interest: Theoretical insights and experimental investigation

dc.authorid0000-0002-1447-7534en_US
dc.contributor.authorHssain, Ala Hamd
dc.contributor.authorGündüz, Bayram
dc.contributor.authorMajid, Abdul
dc.contributor.authorBulut, Niyazi
dc.date.accessioned2021-08-21T19:56:30Z
dc.date.available2021-08-21T19:56:30Z
dc.date.issued2021en_US
dc.departmentMTÖ Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Mühendislik Temel Bilimleri Bölümüen_US
dc.description.abstractStructural, electronic, and spectroscopic properties of 1,4,5,8-naphthalene-tetracarboxylic dianhydride organic semiconductor molecule are reported based on experimental and computational methods. The spectroscopic investigations were carried out via H1 and C13 NMR chemical shifts and UV–VIS spectroscopy. The effects of solvation of NTCDA molecule into different solvents were investigated to explore the effect of polarities of solvents on the absorption peak of the compound. Positive charges on the Carbon atom side were discovered to be more prominent, leading to the conclusion that the NTCDA molecule could be suited for optoelectronic applications with mid-range optical band gaps.en_US
dc.identifier.citationHssain, A. H., Gündüz, B., Majid, A., & Bulut, N. (2021). NTCDA Compounds of Optoelectronic Interest: Theoretical Insights and Experimental Investigation. Chemical Physics Letters, 138918.en_US
dc.identifier.doi10.1016/j.cplett.2021.138918
dc.identifier.endpage9en_US
dc.identifier.issn0009-2614en_US
dc.identifier.scopus2-s2.0-85112020420en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1016/j.cplett.2021.138918
dc.identifier.urihttps://hdl.handle.net/20.500.12899/341
dc.identifier.volume780en_US
dc.identifier.wosWOS:000691799500007en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorGündüz, Bayram
dc.language.isoenen_US
dc.publisherElsevieren_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.subjectBandgap energyen_US
dc.subjectOptoelectronic parametersen_US
dc.subjectDensity functional theoryen_US
dc.subjectHartree-Focken_US
dc.subjectFTIRen_US
dc.subjectUV–Visen_US
dc.subjectNMRen_US
dc.titleNTCDA compounds of optoelectronic interest: Theoretical insights and experimental investigationen_US
dc.typeArticleen_US

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