Theoretical and experimental investigation of the effects of Pr dopant on the electronic band structure, thermal, structural, in vitro biocompatibility of Er-based hydroxyapatites

Ahmed L. O., Bulut N., Osmanlıoğlu F., TATAR B., Kebiroglu H., Ates T., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1280, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1280
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1016/j.molstruc.2023.135095
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Bandgap, Hydroxyapatite, Spectroscopic analysis, X-ray diffraction
  • İstanbul Üniversitesi Adresli: Evet

Özet

Pr and Er co-doped hydroxyapatites (HAps) have undergone their first theoretical and experimental re-search. Pr content was changed in 0.13 percent increments from 0.13 to 0.78 percent. Er content was kept constant at 0.39 at.%. Theoretical results demonstrated an increase in the density from 3.154 to 3.179 g cm -3, as well as steady decreases in the bandgap from 4.1739 to 4.0618 eV. X-ray diffraction (XRD) pat-terns point out that all the samples consist of the single phase of the HAp. The crystallinity decreased steadily with adding of Pr. Pr-content has a considerable impact on all the XRD-related parameters, ther-mal behavior and morphology. The cell viability was affected by the co-dopant content, and this value was found to be higher than 83% for all the samples. (c) 2023 Elsevier B.V. All rights reserved.