Experimental and theoretical analysis of bismuth Co-doped erbium-based hydroxyapatites

IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS
Aenas Laith Ali, Bahroz Kareem Mahmood, Rebaz Obaid Kareem, Tankut Ates, Azeez A. Barzinjy, Niyazi Bulut, Serhat Keser, Omer Kaygili
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引用次数: 0

Abstract

This study explores the impact of bismuth (Bi) and erbium (Er) co-doping on the structural, morphological, and electronic properties of hydroxyapatites (HAp). Bi/Er co-doped HAp samples at varying concentrations were synthesized through a wet chemical process and characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM). Additionally, density functional theory (DFT) was employed to analyze band structure (BS), energy gap (Eg), density of states (DOS), and linear attenuation coefficient (LAC). Results revealed a systematic decrease in the energy gap from 4.0340 eV to 3.9222 eV with increasing Bi content, highlighting a reduced band gap energy trend as the Bi and Er concentrations increase. Higher Bi concentration also influenced the DOS and BS, and reduced crystallite size (D) across samples. Among them, the 0.26Bi-0.39Er-HAp sample exhibited the lowest crystallinity (76.56%) and smallest crystallite size (27.84 nm). This study provides valuable insights into how co-doping affects HAp properties, with potential implications for biomedical and environmental applications.

铋共掺铒基羟基磷灰石的实验与理论分析
本研究探讨了铋(Bi)和铒(Er)共掺杂对羟基磷灰石(HAp)结构、形态和电子性能的影响。采用湿法合成了不同浓度Bi/Er共掺杂HAp样品,并利用x射线衍射(XRD)、傅里叶变换红外光谱(FTIR)和扫描电镜(SEM)对其进行了表征。此外,利用密度泛函理论(DFT)分析了能带结构(BS)、能隙(Eg)、态密度(DOS)和线性衰减系数(LAC)。结果表明,随着Bi含量的增加,带隙能量从4.0340 eV降低到3.9222 eV,并且随着Bi和Er浓度的增加,带隙能量呈降低趋势。较高的铋浓度也影响了样品的DOS和BS,并降低了样品的晶粒尺寸(D)。其中,0.26Bi-0.39Er-HAp结晶度最低(76.56%),晶粒尺寸最小(27.84 nm)。这项研究为共掺杂如何影响HAp性质提供了有价值的见解,对生物医学和环境应用具有潜在的意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of the Australian Ceramic Society
Journal of the Australian Ceramic Society Materials Science-Materials Chemistry
CiteScore
3.70
自引率
5.30%
发文量
123
期刊介绍: Publishes high quality research and technical papers in all areas of ceramic and related materials Spans the broad and growing fields of ceramic technology, material science and bioceramics Chronicles new advances in ceramic materials, manufacturing processes and applications Journal of the Australian Ceramic Society since 1965 Professional language editing service is available through our affiliates Nature Research Editing Service and American Journal Experts at the author''s cost and does not guarantee that the manuscript will be reviewed or accepted
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