Gelişmiş Arama

Basit öğe kaydını göster

dc.contributor.authorGürkan, Yelda Yalçın
dc.contributor.authorKasapbasi, Esra
dc.contributor.authorTürkten, Nazlı
dc.contributor.authorÇınar, Zekiye
dc.date.accessioned2022-05-11T14:30:57Z
dc.date.available2022-05-11T14:30:57Z
dc.date.issued2017
dc.identifier.issn1420-3049
dc.identifier.urihttps://doi.org/10.3390/molecules22030414
dc.identifier.urihttps://hdl.handle.net/20.500.11776/7246
dc.description.abstractSe4+ and N3- ions were used as codopants to enhance the photocatalytic activity of TiO2 under sunlight irradiation. The Se/N codoped photocatalysts were prepared through a simple wet-impregnation method followed by heat treatment using SeCl4 and urea as the dopant sources. The prepared photocatalysts were well characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), UV-diffuse reflectance spectroscopy (UV-DRS), scanning electron microscopy (SEM) and Raman spectroscopy. The codoped samples showed photoabsorption in the visible light range from 430 nm extending up to 580 nm. The photocatalytic activity of the Se/N codoped photocatalysts was evaluated by degradation of 4-nitrophenol (4-NP). The degradation of 4-NP was highly increased for the Se/N codoped samples compared to the undoped and single doped samples under both UV-A and sunlight irradiation. Aiming to determine the electronic structure and dopant locations, quantum chemical modeling of the undoped and Se/N codoped anatase clusters was performed using Density Functional Theory (DFT) calculations with the hybrid functional (B3LYP) and double-zeta (LanL2DZ) basis set. The results revealed that Se/N codoping of TiO2 reduces the band gap due to mixing of N2p with O2p orbitals in the valence band and also introduces additional electronic states originating from Se3p orbitals in the band gap.en_US
dc.description.sponsorshipYildiz Technical University Research FoundationYildiz Technical University [29-01-02-KAP01]; National Center for High Performance Computing of Turkey (UYBHM) [1001162011]en_US
dc.description.sponsorshipThe authors express their thanks to Yildiz Technical University Research Foundation for financial support (Project No. 29-01-02-KAP01), to Degussa Limited Company in Turkey for the generous gift of TiO2 and to the National Center for High Performance Computing of Turkey (UYBHM) Grant No. 1001162011.en_US
dc.language.isoengen_US
dc.publisherMdpi Agen_US
dc.identifier.doi10.3390/molecules22030414
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectTiO2en_US
dc.subjectDFT calculationsen_US
dc.subjectSe/N-codopingen_US
dc.subjectsunlighten_US
dc.subjectheterogeneous photocatalysisen_US
dc.subjectN-Doped Tio2en_US
dc.subjectVisible-Light Activityen_US
dc.subjectSol-Gel Methoden_US
dc.subjectTitania Photocatalystsen_US
dc.subjectNitrogenen_US
dc.subjectWateren_US
dc.subjectDegradationen_US
dc.subjectAdsorptionen_US
dc.subjectOxidationen_US
dc.subjectPowdersen_US
dc.titleInfluence of Se/N Codoping on the Structural, Optical, Electronic and Photocatalytic Properties of TiO2en_US
dc.typearticleen_US
dc.relation.ispartofMoleculesen_US
dc.departmentFakülteler, Fen Edebiyat Fakültesi, Kimya Bölümüen_US
dc.authorid0000-0001-9343-3697
dc.identifier.volume22en_US
dc.identifier.issue3en_US
dc.institutionauthorGürkan, Yelda Yalçın
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.authorscopusid54911752000
dc.authorscopusid55391311300
dc.authorscopusid54911900700
dc.authorscopusid6603153611
dc.identifier.wosWOS:000398743500075en_US
dc.identifier.scopus2-s2.0-85015705668en_US
dc.identifier.pmid28272356en_US


Bu öğenin dosyaları:

Thumbnail

Bu öğe aşağıdaki koleksiyon(lar)da görünmektedir.

Basit öğe kaydını göster