Initial stages of hydration and Zn substitution/occupation on hydroxyapatite (0001) surfaces
作者： Xiaoyan Ma , Donald E. Ellis
DOI: 10.1016/J.BIOMATERIALS.2007.10.001
关键词:
摘要: … In the present work, we carry out a DFT study on the surface of low-coverage hydrated HAP … Section 2 describes the computational background and setup; Section 3 describes the DFT …
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sci-hub.se 参考文章(40)
Felix Franks, Water: A Matrix of Life ,(2000)
Changyong Park, Paul Fenter, Zhan Zhang, Likwan Cheng, Neil C Sturchio, None, Structure of the fluorapatite (100)-water interface by high-resolution X-ray reflectivity American Mineralogist. ,vol. 89, pp. 1647- 1654 ,(2004) , 10.2138/AM-2004-11-1209
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
C. Meis, J. D. Gale, L. Boyer, J. Carpena, D. Gosset, Theoretical Study of Pu and Cs Incorporation in a Mono-silicate Neodymium Fluoroapatite Ca9Nd(SiO4)(PO4)5F2 The Journal of Physical Chemistry A. ,vol. 104, pp. 5380- 5387 ,(2000) , 10.1021/JP000096J
Joice Terra, Ming Jiang, D. E. Ellis, Characterization of electronic structure and bonding in hydroxyapatite: Zn substitution for Ca Philosophical Magazine. ,vol. 82, pp. 2357- 2377 ,(2002) , 10.1080/01418610208235744
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
L. Yubao, C. P. A. T. Klein, J. De Wijn, S. Van De Meer, K. De Groot, Shape change and phase transition of needle-like non-stoichiometric apatite crystals Journal of Materials Science: Materials in Medicine. ,vol. 5, pp. 263- 268 ,(1994) , 10.1007/BF00122395
Anik Peeters, Erna A. P. De Maeyer, Christian Van Alsenoy, Ronald M. H. Verbeeck, SOLIDS MODELED BY AB INITIO CRYSTAL-FIELD METHODS. 12. STRUCTURE, ORIENTATION, AND POSITION OF A-TYPE CARBONATE IN A HYDROXYAPATITE LATTICE Journal of Physical Chemistry B. ,vol. 101, pp. 3995- 3998 ,(1997) , 10.1021/JP964041M
K. Sudarsanan, R. A. Young, Significant precision in crystal structural details. Holly Springs hydroxyapatite Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 25, pp. 1534- 1543 ,(1969) , 10.1107/S0567740869004298
Akemi Yasukawa, Kaori Kamiuchi, Takashi Yokoyama, Tatsuo Ishikawa, Preparation of Lead–Calcium Hydroxyapatite Solid Solutions by a Wet Method Using Acetamide Journal of Solid State Chemistry. ,vol. 163, pp. 27- 32 ,(2002) , 10.1006/JSSC.2001.9348