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An experimental and theoretical investigation of the structure of synthesized ZnO powder

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dc.contributor.authorKaygili, Omer
dc.contributor.authorErcan, Ismail
dc.contributor.authorAtes, Tankut
dc.contributor.authorKeser, Serhat
dc.contributor.authorOrek, Cahit
dc.contributor.authorGunduz, Bayram
dc.contributor.authorSeckin, Turgay
dc.contributor.authorBulut, Niyazi
dc.contributor.authorBañares, Luis
dc.date.accessioned2026-01-04T12:17:56Z
dc.date.issued2018-09-01
dc.description.abstractAbstract ZnO powder has been synthesized, characterized experimentally and its theoretical modeling carried out by density functional theory (DFT). The experimental and theoretical results were compared with each other and with the available data in the literature. A detailed crystal structure analysis was carried out using X-ray diffraction (XRD) data. Experimental and theoretical FTIR analysis, energy gap and density of states and electronic band structure calculations have been done for a complete characterization of the material. The surface morphology has been investigated by scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) spectroscopy. It has been found that the electron excitation of ZnO can occur most probably at the Γ-Γ point, where the energy gap has the lowest value between the valance and conduction bands.
dc.description.urihttps://doi.org/10.1016/j.chemphys.2018.08.021
dc.description.urihttps://dx.doi.org/10.1016/j.chemphys.2018.08.021
dc.description.urihttps://hdl.handle.net/20.500.12639/1108
dc.identifier.doi10.1016/j.chemphys.2018.08.021
dc.identifier.endpage279
dc.identifier.issn0301-0104
dc.identifier.openairedoi_dedup___::0a85e49aefa6f20715cc9a22502c8d54
dc.identifier.orcid0000-0002-2321-1455
dc.identifier.orcid0000-0002-4519-2953
dc.identifier.orcid0000-0002-9678-1053
dc.identifier.orcid0000-0002-3854-1537
dc.identifier.orcid0000-0002-1447-7534
dc.identifier.orcid0000-0003-2863-7700
dc.identifier.orcid0000-0002-0777-2375
dc.identifier.scopus2-s2.0-85051654497
dc.identifier.startpage273
dc.identifier.urihttps://hdl.handle.net/20.500.12597/36953
dc.identifier.volume513
dc.identifier.wos000444622300041
dc.language.isoeng
dc.publisherElsevier BV
dc.relation.ispartofChemical Physics
dc.rightsCLOSED
dc.subjectZnO
dc.subjectDensity functional theory (DFT)
dc.subjectX-ray diffraction (XRD)
dc.subject.sdg3. Good health
dc.titleAn experimental and theoretical investigation of the structure of synthesized ZnO powder
dc.typeArticle
dspace.entity.typePublication
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