Modified Hydroxyapatite Structure and Properties: Modeling and Synchrotron Data Analysis of Modified Hydroxyapatite Structure

被引：46

作者：

Bystrova, A. V. ^{[1
,2
]}

Dekhtyar, Yu. D. ^{[2
]}

Popov, A. I. ^{[3
]}

Coutinho, J. ^{[4
]}

Bystrov, V. S. ^{[1
,5
,6
]}

机构：

[1] Inst Math Problems Biol RAS, Pushchino 142290, Russia

[2] Riga Tech Univ, Biomed Engn & Nanotechnol Inst, Riga, Latvia

[3] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France

[4] Univ Aveiro, Dept Phys, P-3800 Aveiro, Portugal

[5] Univ Aveiro, Dept Mat Engn & Ceram, P-3800 Aveiro, Portugal

[6] Univ Aveiro, CICECO, P-3800 Aveiro, Portugal

来源：

FERROELECTRICS | 2015年 / 475卷 / 01期

关键词：

photoluminescence; defects; inter-nodes; vacancies; photo-electron; work function; modeling; DOS; Hydroxyapatite;

D O I：

10.1080/00150193.2015.995580

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First principle modeling and calculations of hydroxyapatite both native and surface modified and having various defects (OH vacancies, H inter-nodes) were performed. Local Density Approximation method used with calculations of Density of States allows us to analyze the experimental obtained work function data. Molecular modeling was confirmed by photo-electron measurements up to 6.5eV and photoluminescence experimental data from synchrotron DESY up to 30eV. Brief analysis of the influence of heating, microwave radiation, hydrogenation, and synchrotron radiation on hydroxyapatite surface is presented in this work. New data on the structure of modified hydroxyapatite are obtained.

引用

页码：135 / 147

页数：13

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