Band gap and photocatalytic properties of Ti-substituted hydroxyapatite: Comparison with anatase-TiO2

Journal of Molecular Catalysis A: Chemical

Volumn 338, Issue 1-2, 2011, Pages 18-23

  Tsukada, Mineharu ^a   Wakamura, Masato ^a   Yoshida, Naoya ^b   Watanabe, Toshiya ^b  

^a FUJITSU LABORATORIES LTD   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Band gap; First principles; Hydroxyapatite; Photocatalysis; Titanium substitution

Indexed keywords

ABSORPTION EDGES; APATITE STRUCTURES; BAND GAPS; COPRECIPITATION METHOD; D ORBITALS; DENSITY-FUNCTIONAL CALCULATIONS; DIFFUSE REFLECTANCE SPECTROSCOPY; FIRST-PRINCIPLES; GAS DECOMPOSITION; INTERNAL STATE; OPTICAL BAND GAP ENERGY; PHOTO-CATALYTIC; PHOTOCATALYTIC PROPERTY; STRUCTURE OPTIMIZATION; TIO; TOTAL ENERGY; TWO-STEP EXCITATION; UV IRRADIATION;

ALDEHYDES; ENERGY GAP; HYDROXYAPATITE; IRRADIATION; PHOSPHATE MINERALS; PHOTOCATALYSIS; PRECIPITATION (CHEMICAL); SPECTROSCOPY; STRUCTURAL OPTIMIZATION; TITANIUM; TITANIUM DIOXIDE; X RAY DIFFRACTION;

APATITE;

EID: 79952761939     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2011.01.017     Document Type: Article

References (40)

1. J.C. Elliott Structure and Chemistry of the Apatite and Other Calcium Orthophosphates 1994 Elsevier Amsterdam
2. R.Z. LeGeros P.W. Brown, B. Constanz, Hydroxyapatites and Related Materials 1994 CRC Press London
3. J.A.S. Bett, L.G. Christner, and W.K. Hall J. Am. Chem. Soc. 89 1967 5535 5540
4. S. Sugiyama, T. Minami, T. Moriga, H. Hayashi, K. Koto, M. Tanaka, and J.B. Moffat J. Mater. Chem. 6 1996 459
5. Y. Matsumura, H. Kanai, and J.B. Moffat J. Chem. Soc. Faraday Trans. 93 1997 4383 4389
6. F. Monroe, W. Votava, D.B. Bass, and J. McMullen J. Dent. Res. 50 1971 860 861
7. T. Suzuki, T. Hatsushika, and Y. Hayakawa J. Chem. Soc., Faraday Trans. 77 1981 1059 1062
8. T. Suzuki, T. Hatsushika, and M. Miyake J. Chem. Soc., Faraday Trans. 77 1982 3605 3611
9. H. Monma Shokubai 27 1985 237 243 [in Japanese]
10. M. Wakamura, K. Hashimoto, and T. Watanabe Langmuir 19 2003 3428 3431
11. H. Nisikawa Mater. Lett. 58 2003 14 16
12. H. Nisikawa, and K. Omamiuda J. Mol. Catal. A Chem. 179 2002 193 200
13. H. Nisikawa J. Mol. Catal. A Chem. 206 2003 331 338
14. H. Nisikawa J. Mol. Catal. A Chem. 207 2004 149 153
15. H. Nishikawa Phos. Res. Bull. 17 2004 101 104
16. H. Nishikawa Phos. Res. Bull. 21 2007 97 102
17. C.C. Ribeiro, I. Gibson, and M.A. Barbosa Biomaterials 27 2006 1749 1761
18. H. Anmin, L. Ming, C. Chengkang, and M. Dali J. Mol. Catal. A Chem. 267 2007 79 85
19. C. Hu, J. Guo, J. Qu, and X. Hu Appl. Catal. B Environ. 73 2007 345 353
20. C. Ergum J. Eur. Ceram. Soc. 28 2008 2137 2149
21. G. Rosenman, D. Aronov, L. Oster, J. Haddad, G. Mezinskis, I. Pavlovska, M. Chaikina, and A. Karlov J. Lumin. 122-123 2007 936 938
22. D. Haverty, S.A.M. Tofail, K.T. Stanton, and J.B. McMonagle Phys. Rev. B 71 2005 094103-1 094103-9
23. L. Calderin, M.J. Stott, and A. Rubio Phys. Rev. B 67 2003 134106-1 134106-7
24. P. Rulis, L. Ouyang, and W.Y. Ching Phys. Rev. B 70 2004 155104-1 155104-8
25. K. Matsunaga, and A. Kuwabara Phys. Rev. B 75 2007 014102-1 014102-9
26. D.U. Schramm, J. Terra, A.M. Rossi, and D.E. Ellis Phys. Rev. B 63 2000 024107-1 024107-14
27. M. Jiang, J. Terra, A.M. Rossi, M.A. Morales, E.M. Baggio Saitovitch, and D.E. Ellis Phys. Rev. B 66 2002 224107-1 224107-15
28. R. Astala, and M.J. Stott Chem. Mater. 17 2005 4125 4133
29. R. Astala, L. Calderín, X. Yin, and M.J. Stott Chem. Mater. 18 2006 413 422
30. X. Ma, and D.E. Ellis Biomaterials 29 2008 257 265
31. K. Matsunaga J. Chem. Phys. 128 2008 245101-1 245101-10
32. K. Matsunaga, H. Inamori, and H. Murata Phys. Rev. B 78 2007 094101-1 094101-8
33. The original "PHASE" code is developed in the Frontier Simulation Software for Industrial Science project (FSIS) and commercialized as "Advance/PHASE" by AdvanceSoft Corporation. http://www.ciss.iis.u- tokyo.ac.jp/fsis/en/index.html, http://www.advancesoft.jp/product/advance-phase.
34. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865 3868
35. L. Kavan, M. Grätzel, S.E. Gilbert, C. Klemenz, and H.J. Scheel J. Am. Chem. Soc. 118 1996 6716 6723
36. K. Zhu, K. Yanagisawa, R. Shimanouchi, A. Onda, and K. Kajiyoshi J. Euro. Ceram. Soc. 26 2006 509 513
37. K. Monma, and F. Izumi J. Appl. Crystallogr. 41 2008 653 658
38. W. Li, Y. Wang, H. Lin, S. Ismat Shah, C.P. Huang, D.J. Doren, S.A. Rykov, J.G. Chen, and M.A. Barteau Appl. Phys. Lett. 83 2003 4143 4145
39. H. Kamisaka, T. Adachi, and K. Yamashita J. Chem. Phys. 123 2005 084704-1 084704-9
40. M. Long, W. Cai, Z. Wang, and G. Liu Chem. Phys. Lett. 420 2006 71