Investigation of structural, spectral, optical and nonlinear optical properties of nanocrystal CdS: Electrodeposition and quantum mechanical studies

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dc.authorid0000-0003-4577-028Xen_US
dc.authorid0000-0001-7228-2340en_US
dc.authorscopusid37023060500en_US
dc.authorscopusid35181446100en_US
dc.contributor.authorErturk, Kadir
dc.contributor.authorIsik, Seref
dc.contributor.authorAras, Ömür
dc.contributor.authorKaya, Yunus
dc.date.accessioned2022-04-21T06:03:50Z
dc.date.available2022-04-21T06:03:50Z
dc.date.issued2021en_US
dc.departmentBTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description.abstractNanocrystalline CdS semiconductor was synthesized by electrodeposition technique, and characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM), and FTIR spectroscopic methods. XRD analysis result showed that it is a hexagonal crystal structure. SEM micrographs showed that the CdS nanocrystal is homogeneously distributed on the surface. The roughness of the CdS thin films was measured by AFM. The presence of band in the FTIR spectrum at 558 cm−1 corresponds to the stretching of CdS. CdS nanocrystals were modeled separately and calculated in the Gaussian program. Structural, spectroscopic, and nonlinear optical (NLO) properties were investigated using the DFT/Lanl2dz and semi-empirical/pm6 level. Besides, by making energy calculations, Homo, Lumo, band gap, and total state density (TDOS) were calculated. The experimental band gap was measured at 2.40 eV, while this calculated for hexagonal and cubic structure as 2.21 and 2.01 eV with semiemprical/pm6 model, 2.44 and 2.25 eV with DFT/lanl2dz level.These results support that CdS nanostructures are crystallized in hexagonal structure. With this study, the obtaining of nano structured CdS films by electrodeposition method, their structural, optical and surface properties were experimentally examined, supported by theoretical calculations, and additionally NLO properties were investigated. It has been determined that the nanocrystals obtained are suitable material for optoelectronic applications.en_US
dc.identifier.doi10.1016/j.ijleo.2021.167469en_US
dc.identifier.issn00304026
dc.identifier.scopusqualityN/Aen_US
dc.identifier.urihttps://hdl.handle.net/20.500.12885/1923
dc.identifier.volume243en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorAras, Ömür
dc.institutionauthorKaya, Yunus
dc.language.isoenen_US
dc.publisherElsevier GmbHen_US
dc.relation.ispartofOptiken_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCdSen_US
dc.subjectElectrodepositionen_US
dc.subjectGaussianen_US
dc.subjectNanocrystalsen_US
dc.titleInvestigation of structural, spectral, optical and nonlinear optical properties of nanocrystal CdS: Electrodeposition and quantum mechanical studiesen_US
dc.typeArticleen_US

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