An experimental and computational study on Zn-substituted hydroxyapatite

作者：Ren Fuzeng^*; Xin Renlong; Ge Xiang; Leng Yang

来源：International Conference on Multifunctional Materials and Structures, 2008-07-28 to 2008-07-31.

• Zn-substituted
• hydroxyapatite
• rietveld refinement
• simulation

Nanocrystalline Zn-substituted calcium hydroxyapatite (HA) powder was synthesized by wet chemical method. Detailed characterization was carried out with both experimental techniques and numerical simulation method. X-ray diffraction (XRD) patterns show the calcium phosphate maintains as the apatite phase when the atomic ratio of Zn/(Zn+Ca) is less than 17% Zn in aqueous solutions. The calcium phosphate crystallinility decreases with the Zn concentration increase. The morphological changes with Zn substitution in HA were investigated by TEM. Lattice parameters of the apatitic samples were determined by XRD Rietveld refinement method. A computational Study using ab initio generalized gradient approximation density functional theory was performed oil Zn-substituted HA. Comparison of the experimental and computer simulation results provides our insights of Zn substitution ill apatite structure.

• 出版日期2008
• 单位香港科技大学