The effects of Zn and Yb co-dopants on the electronic, radiation shielding, structural, thermal and spectroscopic properties of hydroxyapatite

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dc.authoridAtes, Tankut/0000-0002-4519-2953
dc.authoridBulut, Niyazi/0000-0003-2863-7700
dc.authoridKaygili, Omer/0000-0002-2321-1455
dc.authorwosidAtes, Tankut/AAK-2168-2020
dc.authorwosidBulut, Niyazi/E-2862-2010
dc.authorwosidKaygili, Omer/A-4801-2017
dc.contributor.authorAyhan, Yasemin Merve
dc.contributor.authorAtes, Tankut
dc.contributor.authorSeckin, Turgay
dc.contributor.authorOzcan, Imren
dc.contributor.authorBulut, Niyazi
dc.contributor.authorKurucay, Ali
dc.contributor.authorKaygili, Omer
dc.date.accessioned2024-08-04T20:55:00Z
dc.date.available2024-08-04T20:55:00Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis work presents a comprehensive investigation of the electronic properties of hydroxyapatite (HA) doped with zinc (Zn) and ytterbium (Yb). Four different compositions, namely 0.33Zn-0.33Yb-HA, 0.33Zn-0.66Yb-HA, 0.66Zn-0.33Yb-HA, and 0.66Zn-0.66Yb-HA, were studied using Density of States (DOS) and band structure calculations. The computed band gap values for each composition were determined to be 4.3097 eV, 4.1324 eV, 4.2527 eV, and 4.2088 eV, respectively. The observed decrease in the band gap energy from 0.33Zn-0.33Yb-HA to 0.66Zn-0.66Yb-HA signifies a significant impact of the dopant composition on the electronic properties of the material. Furthermore, the inclusion of ytterbium in the HA matrix resulted in the formation of a distinct band and peak in the density of states. This indicates the emergence of specific energy levels associated with Yb, suggesting a distinct influence on the electronic structure of the material. These findings provide valuable insights into the tunability of the electronic properties of HA through controlled doping with Zn and Yb. Such knowledge is crucial for tailoring materials with desired electronic characteristics, thus holding promise for various applications in electronic devices and biocompatible coatings. The as-modeled structures were synthesized via a wet chemical route. Fourier transform infrared (FTIR), Raman, and X-ray diffraction (XRD) analyses verified the formation of the HA structure for each sample. Differential thermal analysis (DTA) results showed that all the as-prepared samples were thermally stable. The negligible mass losses were detected for all the samples in the thermogravimetric analysis (TGA) measurements. The addition of both co-dopants affected crystal structure related parameters and decreased the crystallinity and cell viability.en_US
dc.description.sponsorshipMalatya Turgut Coordination Unit [2022/19]; University Scientific Research Projects (BAP)en_US
dc.description.sponsorshipMalatya Turgut Coordination Unit, (Project no.: 2022/19) . Ozal University Scientific Research Projects (BAP)en_US
dc.identifier.doi10.1016/j.chphi.2024.100488
dc.identifier.issn2667-0224
dc.identifier.scopus2-s2.0-85183107346en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1016/j.chphi.2024.100488
dc.identifier.urihttps://hdl.handle.net/11616/101776
dc.identifier.volume8en_US
dc.identifier.wosWOS:001170680100001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofChemical Physics Impacten_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectHydroxyapatiteen_US
dc.subjectZn-Yb dopingen_US
dc.subjectDensity of statesen_US
dc.subjectBand structureen_US
dc.subjectElectronic propertiesen_US
dc.titleThe effects of Zn and Yb co-dopants on the electronic, radiation shielding, structural, thermal and spectroscopic properties of hydroxyapatiteen_US
dc.typeArticleen_US

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