Theoretical and experimental investigation of structural, spectroscopic, and thermal properties of Bismuth- and Gadolinium-doped hydroxyapatites

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dc.contributor.authorAtes, Tankut
dc.contributor.authorAcar, Emine Nur
dc.contributor.authorBarzinjy, Azeez A.
dc.contributor.authorKoytepe, Suleyman
dc.contributor.authorKeser, Serhat
dc.contributor.authorAdam, Ibrahim Muhammad
dc.contributor.authorAtes, Burhan
dc.date.accessioned2026-04-04T13:34:53Z
dc.date.available2026-04-04T13:34:53Z
dc.date.issued2026
dc.departmentİnönü Üniversitesi
dc.description.abstractIn this study, hydroxyapatite (HAp) materials doped with bismuth (Bi) and gadolinium (Gd) were synthesized using the wet chemical precipitation method and comprehensively characterized through both theoretical and experimental approaches. Density functional theory (DFT) calculations were employed to investigate the effects of co-doping with Bi and Gd on the electronic structure, lattice parameters, and unit cell volume. Results revealed a consistent reduction in bandgap energy with increasing dopant concentration, highlighting the tunability of HAp's electronic properties for advanced functional applications. Structural analyses revealed subtle reductions in lattice constants and unit cell volume, confirming the incorporation of dopants and lattice contraction. Experimental characterizations included X-ray diffraction (XRD), Fourier-transform infrared (FTIR) and Raman spectroscopy, thermal analyses (DTA/TGA), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). XRD confirmed phase purity with minor beta-TCP formation, while FTIR and Raman spectra validated the presence of phosphate and hydroxyl groups typical of HAp. Thermal analyses indicated excellent stability up to 900 degrees C with minimal mass loss, especially in doped samples. SEM images revealed nanostructured spherical morphologies with homogenous elemental distribution, while EDX confirmed the successful integration of Bi and Gd into the HAp lattice. Biocompatibility assays using l-929 fibroblast cells showed high cell viability (>80%) for all samples, indicating excellent biocompatibility with negligible cytotoxicity. Notably, Gd-doped and co-doped samples showed improved biological responses. These findings suggest that Bi/Gd co-doped HAp materials hold strong potential for biomedical applications such as bone implants and dental restorations, where enhanced electronic, thermal, and biocompatibility properties are crucial.
dc.description.sponsorshipMalatya Turgut Ozal University Scientific Research Projects Coordination Unit [23Y07]; Firat University (FUBAP) [ADEP.25.06]
dc.description.sponsorshipThis study was supported by Malatya Turgut Ozal University Scientific Research Projects Coordination Unit with project number 23Y07. This work was also supported by the Management Unit of Scientific Research Projects of Firat University (FUBAP) (Project Number: ADEP.25.06) .
dc.identifier.doi10.1016/j.molstruc.2025.144512
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.orcid0000-0003-4009-9845
dc.identifier.orcid0000-0002-2321-1455
dc.identifier.orcid0000-0002-4519-2953
dc.identifier.orcid0000-0002-9678-1053
dc.identifier.orcid0000-0003-2863-7700
dc.identifier.scopus2-s2.0-105020804395
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2025.144512
dc.identifier.urihttps://hdl.handle.net/11616/109474
dc.identifier.volume1352
dc.identifier.wosWOS:001615282300001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectHydroxyapatite (HAp)
dc.subjectBismuth (Bi) doping
dc.subjectGadolinium (Gd) doping
dc.subjectThermal stability
dc.subjectBiocompatibility
dc.titleTheoretical and experimental investigation of structural, spectroscopic, and thermal properties of Bismuth- and Gadolinium-doped hydroxyapatites
dc.typeArticle

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