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

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dc.authoridDorozhkin, Sergey V./0000-0002-8439-9527
dc.authoridBulut, Niyazi/0000-0003-2863-7700
dc.authoridBulut, Niyazi/0000-0003-2863-7700
dc.authoridAtes, Tankut/0000-0002-4519-2953
dc.authoridGürses, Canbolat/0000-0002-4085-0224
dc.authoridKaygili, Omer/0000-0002-2321-1455
dc.authoridIBRAHIMZADE, LALA/0000-0002-1999-3087
dc.authorwosidDorozhkin, Sergey V./H-1808-2011
dc.authorwosidBulut, Niyazi/E-2862-2010
dc.authorwosidBulut, Niyazi/ABH-2863-2021
dc.authorwosidAtes, Tankut/AAK-2168-2020
dc.authorwosidGürses, Canbolat/AAA-6825-2019
dc.authorwosidDundar, Serkan/V-8159-2018
dc.authorwosidKaygili, Omer/A-4801-2017
dc.contributor.authorIbrahimzade, Lala
dc.contributor.authorKaygili, Omer
dc.contributor.authorDundar, Serkan
dc.contributor.authorAtes, Tankut
dc.contributor.authorDorozhkin, Sergey V.
dc.contributor.authorBulut, Niyazi
dc.contributor.authorKoytepe, Suleyman
dc.date.accessioned2024-08-04T20:50:13Z
dc.date.available2024-08-04T20:50:13Z
dc.date.issued2021
dc.departmentİnönü Üniversitesien_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 (beta-TCP) as the minor one. The amount of beta-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. (C) 2021 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipManagement Unit of Scientific Research Projects of Firat University (FUBAP) [FF.20.08]en_US
dc.description.sponsorshipThis work was supported by the Management Unit of Scientific Research Projects of Firat University (FUBAP) (Project Number: FF.20.08).en_US
dc.identifier.doi10.1016/j.molstruc.2021.130557
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85105574718en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130557
dc.identifier.urihttps://hdl.handle.net/11616/99919
dc.identifier.volume1240en_US
dc.identifier.wosWOS:000664245300009en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
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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