Theoretical and experimental characterization of Pr/Ce co-doped hydroxyapatites

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dc.authorid0000-0002-4519-2953en_US
dc.contributor.authorİbrahimzade, Lala
dc.contributor.authorKaygılı, Ömer
dc.contributor.authorDündar, Serkan
dc.contributor.authorAteş, Tankut
dc.contributor.authorDorozhkin, Sergey V.
dc.contributor.authorBulut, Niyazi
dc.contributor.authorKöytepe, Süleyman
dc.contributor.authorErcan, Filiz
dc.contributor.authorGürses, Canbolat
dc.contributor.authorErcan, Filiz
dc.contributor.authorHssain, Ala Hamd
dc.date.accessioned2021-05-26T09:09:17Z
dc.date.available2021-05-26T09:09:17Z
dc.date.issued2021en_US
dc.departmentMTÖ Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Mühendislik Temel Bilimleri Bölümü Bölümüen_US
dc.description.abstractThis study presents a more extensive report on the experimental and theoretical characterization of the Ce-doped hydroxyapatite (HAp) samples additionally doped with Pr at varying amounts. To achieve this goal, four Ce-containing (a constant amount of 0.35 at.%) HAps additionally doped with Pr at various amounts (0.35, 0.70, 1.05, and 1.40 at.%) were synthesized via a combustion method. Besides, all these samples were modeled theoretically by using a density functional theory (DFT). Theoretical results showed that the bandgap energy decreased continuously from 4.5156 to 4.3097 eV. For all samples, the linear attenuation (or absorption) coefficient increased with the increasing amount of Pr and this parameter had a decreasing trend with the increase in the photon energy. An increase in the theoretical density and the lattice parameter c and a decrease of both the lattice parameter a and the unit cell volume were found. After analyzing the experimental data, the following results were observed: X-ray diffraction (XRD) and Fourier transform infrared (FTIR) data verified the formation of HAp phase (above 94% for all the samples) as the major phase and beta-tricalcium phosphate (?-TCP) as the minor one. The amount of ?-TCP phase was found to increase from 3.4 to 5.9% with the addition of Pr. Similar to the theoretical findings, an increasing trend for the density and decreasing one for the unit cell volume were detected. Both a decrease in the crystallinity and an increase in the anisotropic energy density were found. The results of the thermal analysis supported the thermal stability of all the samples. The cell viability was found to be affected by Pr-content.en_US
dc.identifier.citationIbrahimzade, Lala, Omer Kaygili, Serkan Dundar, Tankut Ates, Sergey V. Dorozhkin, Niyazi Bulut, Suleyman Koytepe, Filiz Ercan, Canbolat Gürses, and Ala Hamd Hssain. 2021. "Theoretical and Experimental Characterization of Pr/Ce Co-Doped Hydroxyapatites". Journal of Molecular Structure. 1240: 130557.en_US
dc.identifier.doi10.1016/j.molstruc.2021.130557
dc.identifier.endpage13en_US
dc.identifier.issue15en_US
dc.identifier.scopus2-s2.0-85105574718en_US
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130557
dc.identifier.urihttps://hdl.handle.net/20.500.12899/148
dc.identifier.volume1240en_US
dc.identifier.wosWOS:000664245300009en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.institutionauthorAteş, Tankut
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectPowders: Chemical preparationen_US
dc.subjectApatiteen_US
dc.subjectX-ray Methodsen_US
dc.titleTheoretical and experimental characterization of Pr/Ce co-doped hydroxyapatitesen_US
dc.typeArticleen_US

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