Investigation of the effects of quercetin on the structure and properties of zinc-modified hydroxyapatites
Küçük Resim Yok
Tarih
2026
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Univ Novi Sad, Fac Technology
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this study, hydroxyapatite (HAp) samples, co-doped with 0.44 at.% of zinc and different amount of quercetin (Zn/Que-HAp), were synthesised using a wet-chemical method and calcined at 900 degrees C. XRD shows HAp as the primary phase with minor beta-TCP. Compared to the Zn-doped sample without quercetin (Q1), quercetin co-doping induces clear structural changes (shifts of lattice parameters a from-0.0017 to +0.0006 nm and c from-0.0026 to-0.0005 nm), accompanied by changes in crystallinity (from-3.6% to +2.5%) and crystallite size (from-3.5 to +0.6 nm), evidencing a distinct co-doping effect. DTA/TGA reveal reduced total mass loss for the Que-containing compositions relative to the Zn-doped sample, indicating enhanced thermal stability of the co-doped lattice. SEM reveals granular morphologies with interconnected porosity, while EDX yields (Ca+Zn)/P ratios greater than 1.67, consistent with Ca-sufficient apatite and modified defect chemistry. DFT calculations resolve the site-specific effects of Zn substitution and predict a preference for perturbation at Ca2 sites. The electronic density of states retains a wide-gap, insulating character, with localised states sensitive to the dopant configuration. By correlating experiment and theory, we demonstrate that the organic-inorganic co-dopant pair offers an effective means to tune lattice metrics, phase balance, and thermal response without compromising the intrinsic insulating nature of HAp.
Açıklama
Anahtar Kelimeler
Hydroxyapatite, Doping, Bioceramics, Thermal Analysis, Crystal Structure
Kaynak
Processing and Application of Ceramics
WoS Q Değeri
Q4
Scopus Q Değeri
Q3
Cilt
20
Sayı
1
