Exploring the electronic band structure, spectroscopic signatures, and structural properties of Er3+-based hydroxyapatites co-doped with Ce3+ions

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dc.authoridBulut, Niyazi/0000-0003-2863-7700
dc.authoridKaygili, Omer/0000-0002-2321-1455
dc.authoridAtes, Tankut/0000-0002-4519-2953
dc.authorwosidBulut, Niyazi/E-2862-2010
dc.authorwosidBanares, Luis/B-7922-2014
dc.authorwosidKaygili, Omer/A-4801-2017
dc.authorwosidAtes, Tankut/AAK-2168-2020
dc.contributor.authorAhmed, Lana Omar
dc.contributor.authorBulut, Niyazi
dc.contributor.authorBanares, Luis
dc.contributor.authorKaygili, Omer
dc.contributor.authorKebiroglu, Hanifi
dc.contributor.authorAtes, Tankut
dc.contributor.authorKoytepe, Suleyman
dc.date.accessioned2024-08-04T20:54:33Z
dc.date.available2024-08-04T20:54:33Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractIn this work, we have investigated Ce3+ and Er3+ co-doped hydroxyapatite (HAp) structures both theoretically and experimentally for the first time. The Ce3+ content was incrementally varied in steps of 0.13 at. %, ranging from 0.13 at. % to 0.78 at. %. Meanwhile, the Er3+ content remained constant at 0.39 at. % for all samples. We employed X-ray diffraction, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry, and in vitro biocompatibility tests to examine the prepared samples. Our findings demonstrate that the thermal behavior, morphology, and other crystal structure-related parameters are significantly influenced by the con-centration of Ce3+. The formation of HAp structures was confirmed through FTIR and Raman spectroscopic analyses. Furthermore, we conducted theoretical calculations to determine the linear absorption coefficient, density of states, and bandgap. These calculations revealed that the addition of Ce3+ atoms at varying concen-trations resulted in an increase in density from 3.174 to 3.195 g cm-3, while the bandgap gradually decreased from 4.16 to 4.10 eV, except for the 0.26Ce-0.39Er-HAp and 0.52Ce-0.39Er-HAp compositions, where the energy bandgap exhibited an increase.en_US
dc.identifier.doi10.1016/j.inoche.2023.111067
dc.identifier.issn1387-7003
dc.identifier.issn1879-0259
dc.identifier.scopus2-s2.0-85166320036en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.inoche.2023.111067
dc.identifier.urihttps://hdl.handle.net/11616/101491
dc.identifier.volume155en_US
dc.identifier.wosWOS:001056671100001en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofInorganic Chemistry Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBandgapen_US
dc.subjectX-ray diffractionen_US
dc.subjectSpectroscopic studyen_US
dc.subjectHydroxyapatiteen_US
dc.titleExploring the electronic band structure, spectroscopic signatures, and structural properties of Er3+-based hydroxyapatites co-doped with Ce3+ionsen_US
dc.typeArticleen_US

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