无机材料学报2020，Vol.35Issue(11)：1283-1289,中插4,8.DOI:10.15541/jim20190439
掺锶羟基磷灰石纳米颗粒的合成、表征及模拟研究
Strontium Doped Hydroxyapatite Nanoparticles: Synthesis, Characterization and Simulation
摘要
Abstract
Strontium (Sr) doped hydroxyapatite (HA) has been widely used in diverse biological applications. In this work, hydrothermal synthesis method was used to prepare HA and Sr doped HA nanoparticles. A series of experimental methods and the simulation method based on density functional theory (DFT) were used to investigate the effect of Sr doping on chemical composition, crystallinity, lattice parameters, morphology, and formation ener-gies of HA. The experimental results indicated that the lattice parameters and crystal size of Sr doped HA nanopar-ticles increased. The crystallinity of Sr doped HA nanoparticles did not change significantly with the increasing concentration of Sr ions. The lattice parameters obtained by the simulation method were in good agreement with the experimental results. The formation energies indicated that Sr ion doping endowed the structure more stable, which also illustrated that the Ca(1) site was the preferential site for Sr doping at 10at％ and mixed doping was a more preferred doping mode at 50at％.关键词
羟基磷灰石/锶掺杂/晶格参数/密度泛函理论/形成能Key words
hydroxyapatite/strontium doping/lattice parameter/density functional theory/formation energy分类
化学化工引用本文复制引用
周子航,王群,葛翔,李朝阳..掺锶羟基磷灰石纳米颗粒的合成、表征及模拟研究[J].无机材料学报,2020,35(11):1283-1289,中插4,8.基金项目
National Natural Science Foundation of China(51871163) （51871163）
Natural Science Foundation of Tianjin(18JCYBJC19500) （18JCYBJC19500）
Scientific Research Startup Program of Mianyang Teachers'College(QD2019A20) （QD2019A20）
