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dc.creatorSredojević, Dušan
dc.creatorKovač, Tijana S.
dc.creatorDžunuzović, Enis S.
dc.creatorĐorđević, Vesna R.
dc.creatorGrgur, Branimir N.
dc.creatorNedeljković, Jovan
dc.date.accessioned2018-03-01T17:50:30Z
dc.date.available2018-03-01T17:50:30Z
dc.date.issued2017
dc.identifier.issn0009-2614 (print)
dc.identifier.issn1873-4448 (electronic)
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/1724
dc.description.abstractThe charge transfer complex formation between TiO2 powder and variety of phenol derivatives (phenol, 4-nitrophenol, 4-bromophenol, 4-tert-butylphenol, hydroquinone) was achieved. The red-shift of optical absorption was observed upon surface modification of TiO2 powders with phenol derivatives. The influence of substituent functional groups in para position on the optical band gap and conduction band edge of inorganic/organic hybrids was studied using reflection spectroscopy and cyclic voltammetry. The experimental findings were supported by density functional theory calculations. The measured reflection spectra of surface-modified TiO2 powders with phenol derivatives were compared with calculated electronic excitation spectra of corresponding model systems. (C) 2017 Elsevier B.V. All rights reserved.en
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45020/RS//
dc.rightsrestrictedAccessen
dc.sourceChemical Physics Lettersen
dc.subjectCharge transfer complexen
dc.subjectTiO2en
dc.subjectPhenol derivativesen
dc.subjectDensity functional theoryen
dc.subjectCyclic voltammetryen
dc.titleSurface-modified TiO2 powders with phenol derivatives: A comparative DFT and experimental studyen
dc.typearticleen
dcterms.abstractКовац, Тијана; Дзунузовиц, Енис; Средојевић Душан; Ђорђевић Весна; Гргур, Бранимир Н.; Недељковић Јован;
dc.citation.volume686
dc.citation.spage167
dc.citation.epage172
dc.identifier.wos000410844000027
dc.identifier.doi10.1016/j.cplett.2017.08.023
dc.identifier.scopus2-s2.0-85028500176


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