Tuning electronic properties of hydroxyapatite through controlled doping using zinc, silver, and praseodymium: A density of states and experimental study

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dc.authoridBarzinjy, Azeez Abdullah/0000-0003-4009-9845
dc.authoridAtes, Tankut/0000-0002-4519-2953
dc.authoridKaygili, Omer/0000-0002-2321-1455
dc.authoridBulut, Niyazi/0000-0003-2863-7700
dc.authoridKARACA ACARI, IDIL/0000-0001-6783-7030
dc.authoridKESER, Serhat/0000-0002-9678-1053
dc.authorwosidBarzinjy, Azeez Abdullah/W-6517-2019
dc.authorwosidAtes, Tankut/AAK-2168-2020
dc.authorwosidKaygili, Omer/A-4801-2017
dc.authorwosidBulut, Niyazi/E-2862-2010
dc.authorwosidKESER, Serhat/V-5951-2018
dc.contributor.authorSahin, Binnur
dc.contributor.authorAtes, Tankut
dc.contributor.authorAcari, Idil Karaca
dc.contributor.authorBarzinjy, Azeez A.
dc.contributor.authorAtes, Burhan
dc.contributor.authorOzcan, Imren
dc.contributor.authorBulut, Niyazi
dc.date.accessioned2024-08-04T20:54:57Z
dc.date.available2024-08-04T20:54:57Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThis study presents a comprehensive exploration of the electronic properties of hydroxyapatite (HA) doped with zinc (Zn), silver (Ag), and praseodymium (Pr). Five distinct compositions-0.4Pr-HA, 0.4Zn-0.4Pr-HA, 0.8Zn0.4Pr-HA, 0.4Ag-0.4Pr-HA, and 0.8Zn-0.4Pr-HA were systematically investigated through Density of States (DOS) and band structure calculations. The computed band gap values, ranging from 4.4037 to 4.1554 eV, revealed a progressive decrease in band gap energy from 0.4Pr-HA to 0.8Ag-0.4Pr-HA, emphasizing the substantial impact of dopant composition on electronic properties. Additionally, the incorporation of Pr induced distinct bands and peaks in the density of states, signifying the emergence of specific energy levels associated with Pr and suggesting a clear effect on the electronic structure. Furthermore, the study explores the influences of dopant type and quantity on the electronic structure, microstructure, spectral, thermal, and in vitro cell viability properties of Pr-based HA samples. Theoretical results demonstrated a continuous decrease in the bandgap with Ag or Zn dopants, and the study observed controllable changes in LAC values based on co-dopant type and quantity. Experimental outcomes revealed significant effects on crystallinity, crystallite size, lattice parameters, and unit cell volume, confirmed through XRD, SEM, EDX, FTIR, and Raman analyses. These findings provide valuable visions into the tunability of the electronic properties of HA through controlled doping with Zn, Pr, and Ag. This knowledge is crucial for modifying materials with desirable electronic properties, and thus holds promise for various applications in electronic devices and biocompatible coatings.en_US
dc.description.sponsorshipMalatya Turgut Ozal University Scientific Research Coordination Unit [2022/18]en_US
dc.description.sponsorshipMalatya Turgut Ozal University Scientific Research Coordination Unit (Project No: 2022/18) .en_US
dc.identifier.doi10.1016/j.ceramint.2023.12.120
dc.identifier.endpage7929en_US
dc.identifier.issn0272-8842
dc.identifier.issn1873-3956
dc.identifier.issue5en_US
dc.identifier.scopus2-s2.0-85180305717en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage7919en_US
dc.identifier.urihttps://doi.org/10.1016/j.ceramint.2023.12.120
dc.identifier.urihttps://hdl.handle.net/11616/101734
dc.identifier.volume50en_US
dc.identifier.wosWOS:001170078700001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Sci Ltden_US
dc.relation.ispartofCeramics Internationalen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectHydroxyapatiteen_US
dc.subjectZn -Pr dopingen_US
dc.subjectDensity of statesen_US
dc.subjectBand structureen_US
dc.subjectElectronic propertiesen_US
dc.titleTuning electronic properties of hydroxyapatite through controlled doping using zinc, silver, and praseodymium: A density of states and experimental studyen_US
dc.typeArticleen_US

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