4.6 Article

The experimental and theoretical investigation of Sm/Mg co-doped hydroxyapatites

期刊

CHEMICAL PHYSICS LETTERS
卷 800, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.cplett.2022.139677

关键词

Hydroxyapatite; Wet chemical method; Density of states (DOS); Band structure; Morphology; X-ray diffraction (XRD); DFT

资金

  1. Management Unit of Scientific Research Projects of Firat University (FUBAP) [FF.20.22, FF.21.18, FF.22.05]

向作者/读者索取更多资源

This study presents an extensive experimental and theoretical analysis of Mg-doped hydroxyapatite samples with additional Sm doping at varying amounts. The results show that the bandgap energy decreases and the linear attenuation coefficient increases with increasing Sm doping. The XRD and FTIR analysis reveals the phase composition and lattice parameters of the samples. The samples exhibit good thermal stability, but cell viability is affected by the presence of Sm.
This study presents an extensive experimental and theoretical analysis of Mg -doped hydroxyapatite (HAp) samples with additional Sm doping at varying amounts. A wet chemical method was used to synthesize Mg-containing HAps at a constant amount of 0.133 at. %, and in addition the second dopant of Sm was utilized at varying amounts of 0.133, 0.266, 0.399, 0.532, and 0.665 at. %. All of these samples were investigated experimentally and theoretically by using the X-ray diffraction (XRD) analysis, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), Raman spectroscopy, differential thermal analysis (DTA), thermogravimetric analysis (TGA), in-vitro cell viability tests, and density functional theory (DFT) calculations. The bandgap energy was found to have reduced from 4.6115 eV to 4.3870 eV. The linear attenuation (or absorption) coefficient increased as the amount of Sm in the sample increased, and this parameter decreased as the photon energy increased for all samples. Both the lattice parameter and the theoretical density increased, whereas the unit cell volume and the lattice parameters declined. The XRD and FTIR results revealed that the HAp phase (over 98 percent for all samples) was a major phase formed, while the beta -TCP phase (beta-tricalcium phosphate) was a minor phase. The beta-TCP phase increased from 0.91 to 1.57 percent with an increasing amount of Sm. The volume of the unit cell trended in the same direction as predicted by the obtained results theoretically. Increased anisotropic energy density and a decrease in crystallinity have been observed. All samples were found to be thermally stable. Due to the presence of Sm content, cell viability was observed to be affected.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据