Synthesis, photophysical, electrochemical and DFT studies of two novel triazine-based perylene dye molecules

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dc.authorid0000-0001-8352-8326en_US
dc.authorscopusid7801633542en_US
dc.authorwosidAAN-2681-2021en_US
dc.contributor.authorDinleyici, Meltem
dc.contributor.authorAl-Khateeb, Basma
dc.contributor.authorAbourajab, Arwa
dc.contributor.authorUzun, Duygu
dc.contributor.authorKoyuncu, Sermet
dc.contributor.authorIcil, Huriye
dc.date.accessioned2025-01-02T10:23:25Z
dc.date.available2025-01-02T10:23:25Z
dc.date.issued2021en_US
dc.departmentFakülteler, Mühendislik Fakültesi, Kimya Mühendisliği Bölümü
dc.description.abstractOne new 2,4-diamino-6-phenyl-1,3,5-triazine containing perylene diimide and oligomer were designed, synthesized, and characterized. The absorption, electrochemical, spectroelectrochemical, morphological characteristics have been investigated. Density functional theory (DFT) computational studies confirmed the compounds' structural and electrochemical features. The weight-average molecular mass (Mw) of 3500 g/mol was obtained for the helical oligomer 4 from the gel permeation chromatography (GPC) measurements, indicating the heptamer structure formation. The HOMO and LUMO energy levels of compounds 3 and 4 were −5.83/−3.93 and −6.10/−4.01 eV, respectively. The photovoltaic parameters Voc, Isc, FF and ηcell of diimide 3 based DSSC are 0.316 V, 0.432 mA/cm2, 0.08 and 0.011% respectively. Those parameters for the oligomer dye 4 are 0.318 V, 0.455 mA/cm2, 0.15 and 0.0211%, respectively.en_US
dc.identifier.citationDinleyici, M., Al-Khateeb, B., Abourajab, A., Uzun, D., Koyuncu, S., & Icil, H. (2021). Synthesis, photophysical, electrochemical and DFT studies of two novel triazine-based perylene dye molecules. Journal of Photochemistry and Photobiology A: Chemistry, 421, 113525. https://doi.org/10.1016/j.jphotochem.2021.113525en_US
dc.identifier.doi10.1016/j.jphotochem.2021.113525
dc.identifier.issn1010-6030
dc.identifier.issn1873-2666
dc.identifier.scopus2-s2.0-85115022440
dc.identifier.urihttps://doi.org/10.1016/j.jphotochem.2021.113525
dc.identifier.urihttps://hdl.handle.net/20.500.12428/6794
dc.identifier.volume421en_US
dc.identifier.wosWOS:000696903500001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKoyuncu, Sermet
dc.language.isoen
dc.publisherElsevier B.V.en_US
dc.relation.ispartofJournal of Photochemistry and Photobiology A: Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAgglomerateen_US
dc.subjectDFTen_US
dc.subjectDSSCen_US
dc.subjectElectrochemistryen_US
dc.subjectOligomeren_US
dc.subjectSpectroelectrochemistryen_US
dc.titleSynthesis, photophysical, electrochemical and DFT studies of two novel triazine-based perylene dye molecules
dc.typeArticle

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