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dc.creatorMilicevic, Bojana
dc.creatorĐorđević, Vesna
dc.creatorLončarević, Davor
dc.creatorDostanić, Jasmina
dc.creatorAhrenkiel, Scott Phillip
dc.creatorDramićanin, Miroslav
dc.creatorSredojević, Dušan
dc.creatorSvrakic, Nenad M.
dc.creatorNedeljković, Jovan M.
dc.date.accessioned2019-01-30T17:53:13Z
dc.date.available2019-01-30T17:53:13Z
dc.date.issued2017
dc.identifier.issn0925-3467
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2088
dc.description.abstractUnder normal conditions, titanium dioxide does not absorb visible light photons due to large band gap. Nevertheless, when titanium dioxide nanoparticles (TiO2 NPs) are surface-modified with thiosalicylic acid (TSA), their optical properties are altered owing to the formation of charge transfer complex that initiates absorption in the visible spectral range. Colloidal and sol-gel techniques were used to synthesize uniform TiO2 NPs of different sizes (average diameters in the range 4-15 nm), and effects of their subsequent modification by TSA molecules were compared with effect of modification of commercial Degussa TiO2 powder. Thorough microstructural characterization of TiO2 nanoparticulates was performed including transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis, as well as nitrogen adsorption-desorption isotherms. Optical measurements revealed that all surface-modified TiO2 samples with TSA have similar spectral features independent of their morphological differences, and, more importantly, absorption onset of modified TiO2 samples was found to be red-shifted by 1.0 eV compared to the unmodified ones. The mode of binding between TSA and surface Ti atoms was analyzed by infrared spectroscopy. Finally, the quantum chemical calculations, based on density functional theory, were performed to support optical characterization of surface-modified TiO2 with TSA.en
dc.publisherElsevier Science Bv, Amsterdam
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45020/RS//
dc.rightsrestrictedAccess
dc.sourceOptical Materials
dc.subjectCharge transfer complexen
dc.subjectTiO2en
dc.subjectThiosalicylic aciden
dc.subjectDensity functional theoryen
dc.subjectSol-gelen
dc.titleCharge-transfer complex formation between TiO2 nanoparticles and thiosalicylic acid: A comprehensive experimental and DFT studyen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractЛончаревић, Давор; Недељковиц, Јован М.; Милицевиц, Бојана; Достанић, Јасмина; Aхренкиел, Сцотт Пхиллип; Средојевиц, Дусан; Свракиц, Ненад М.; Драмићанин, Мирослав; Дордевиц, Весна;
dc.citation.volume73
dc.citation.spage163
dc.citation.epage171
dc.citation.other73: 163-171
dc.citation.rankM22
dc.identifier.doi10.1016/j.optmat.2017.08.011
dc.identifier.rcubConv_3824
dc.identifier.scopus2-s2.0-85027410154
dc.identifier.wos000414882000024
dc.type.versionpublishedVersion


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