Calculations show improved photoelectrochemical performance for N, Ce, and Ce N doped anatase TiO2

Journal of Applied Physics

Volumn 110, Issue 3, 2011, Pages

  Zhang, Yun Geng ^a   Wang, Yuan Xu ^a  

^a HENAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION EDGES; ANATASE TIO; BAND GAP NARROWING; BEST CHOICE; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FIRST-PRINCIPLES CALCULATION; N-DOPED; N-DOPED TIO; N-DOPING; PHOTOELECTROCHEMICAL PERFORMANCE; PHOTOELECTROCHEMICALS; RED SHIFT; SPIN-DOWN STATE; SPIN-UP; STRONG CORRELATION EFFECT; TIO; WATER SPLITTING;

CALCULATIONS; ELECTROCHEMISTRY; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL CORRELATION; OPTICAL PROPERTIES; WATER ABSORPTION;

TITANIUM DIOXIDE;

EID: 80051931416     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3618677     Document Type: Article

References (44)

1. S. Y. Huang, L. Kavan, I. Exnar, and M. Grtzel, J. Electrochem. Soc. 142, L142 (1995). 10.1149/1.2048726
2. C. H. Jiang, M. D. Wei, Z. M. Qi, T. Kudo, I. Honma, and H. S. Zhou, J. Power Sources 166, 239 (2007). 10.1016/j.jpowsour.2007.01.004 (Pubitemid 46356815)
3. A. Fujishima and K. Honda, Nature 238, 37 (1972). 10.1038/238037a0
4. H. Tang, H. Berger, P. E. Schmid, F. Lévy, and G. Burri, Solid State Commun. 23, 161 (1977). 10.1016/0038-1098(77)90101-6 (Pubitemid 8570381)
5. Y. Gai, J. Li, S. S. Li, J. B. Xia, and S. H. Wei, Phys. Rev. Lett. 102, 036402 (2009). 10.1103/PhysRevLett.102.036402
6. R. Asahi, T. Morikawa, T. Ohwaki, K. Aoki, and Y. Taga, Science 293, 269 (2001). 10.1126/science.1061051 (Pubitemid 32694736)
7. K. S. Yang, Y. Dai, B. B. Huang, and S. H. Han, J. Phys. Chem. B 110, 24011 (2006). 10.1021/jp0651135 (Pubitemid 46065841)
8. M. Batzill, E. H. Morales, and U. Diebold, Phys. Rev. Lett. 96, 026103 (2006). 10.1103/PhysRevLett.96.026103 (Pubitemid 43248253)
9. A. V. Emeline, N. V. Sheremetyeva, N. V. Khomchenko, V. K. Ryabchuk, and N. Serpone, J. Phys. Chem. C 111, 11456 (2007). 10.1021/jp071181v (Pubitemid 47317540)
10. C. D. Valentin, G. Pacchioni, and A. Selloni, Chem. Mater. 17, 6656 (2005). 10.1021/cm051921h (Pubitemid 43099140)
11. H. Wang and J. P. Lewis, J. Phys.: Condens. Matter 17, L209 (2005). 10.1088/0953-8984/17/21/L01 (Pubitemid 40666651)
12. T. Umebayashi, T. Yamaki, H. Itoh, and K. Asai, Appl. Phys. Lett. 81, 454 (2002). 10.1063/1.1493647
13. F. Tian and C. Liu, J. Phys. Chem. B 110, 17866 (2006). 10.1021/jp0635462 (Pubitemid 44555459)
14. W. Zhao, W. Ma, C. Chen, J. Zhao, and Z. Shuai, J. Am. Chem. Soc. 126, 4782 (2004). 10.1021/ja0396753 (Pubitemid 38490137)
15. K. Yang, Y. Dai, and B. Huang, Phys. Rev. B 76, 195201 (2007). 10.1103/PhysRevB.76.195201
16. R. Shirley, M. Kraft, and O. R. Inderwildi, Phys. Rev. B 81, 075111 (2010). 10.1103/PhysRevB.81.075111
17. R. Long and N. J. English, ChemPhysChem 11, 2606 (2010). 10.1002/cphc.201000329
18. B. J. Morgan and G. W. Watson, Phys. Rev. B 82, 144119 (2010). 10.1103/PhysRevB.82.144119
19. H. Weng, X. Yang, J. Dong, H. Mizuseki, M. Kawasaki, and Y. Kawazoe, Phys. Rev. B 69, 125219 (2004). 10.1103/PhysRevB.69.125219
20. T. Umebayashi, T. Yamaki, H. Itoh, and K. Asai, J. Phys. Chem. Solids 63, 1909 (2002). 10.1016/S0022-3697(02)00177-4
21. W. Zhu, X. Qiu, V. Iancu, X. Q. Chen, H. Pan, W. Wang, N. M. Dimitrijevic, T. Tajh, H. M. Meyer III, M. P. Paranthaman, G. M. Stocks, H. H. Weitering, B. Gu, G. Eres, and Z. Zhang, Phys. Rev. Lett. 102, 226401 (2009). 10.1103/PhysRevLett.103.226401
22. W. J. Yin, H. Tang, S. H. Wei, M. M. Al-Jassim, J. Turner, and Y. Yan, Phys. Rev. B 82, 045106 (2010). 10.1103/PhysRevB.82.045106
23. P. Wang, Z. Liu, F. Lin, G. Zhou, J. Wu, W. Duan, B. L. Gu, and S. B. Zhang, Phys. Rev. B 82, 193103 (2010). 10.1103/PhysRevB.82.193103
24. A. W. Xu, Y. Gao, and H. Q. Liu, J. Catal. 207, 151 (2002). 10.1006/jcat.2002.3539
25. R. Coquet and D. J. Willock, Phys. Chem. Chem. Phys. 7, 3819 (2005). 10.1039/b511044k
26. I. V. Anisimov, J. Zaanen, and K. Andersen, Phys. Rev. B 44, 943 (1991). 10.1103/PhysRevB.44.943
27. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
28. B. Adolph, J. Furthmller, and F. Bechstedt, Phys. Rev. B 63, 125108 (2001). 10.1103/PhysRevB.63.125108
29. P. E. Blchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
30. G. Kresse and J. Furthmller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
31. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 10.1103/PhysRev.136.B864
32. B. Hammer, L. B. Hansen, and J. K. Nrskov, Phys. Rev. B 59, 7413 (1999). 10.1103/PhysRevB.59.7413
33. B. N. Harmon, V. P. Antropov, A. I. Liechtenstein, I. V. Solovyev, and V. I. Anisimov, J. Phys. Chem. Solids 56, 1521 (1995). 10.1016/0022-3697(95)00122- 0
34. K. S. Yang, Y. Dai, and B. B. Huang, ChemPhysChem 10, 2327 (2009). 10.1002/cphc.200900188
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
36. J. D. Pack and H. J. Monkhorst, Phys. Rev. B 16, 1748 (1977). 10.1103/PhysRevB.16.1748
37. X. Sun, H. Liu, J. Dong, J. Wei, and Y. Zhang, Catal. Lett. 135, 219 (2010). 10.1007/s10562-010-0302-7
38. C. D. Valentin, G. Pacchioni, and A. Selloni, Phys. Rev. B 70, 085116 (2004). 10.1103/PhysRevB.70.085116
39. V. N. Kuznetsov and N. Serpone, J. Phys. Chem. C 113, 15110 (2009). 10.1021/jp901034t
40. R. Asahi, Y. Taga, W. Mannastdt, and A. J. Freeman, Phys. Rev. B 61, 7459 (2001). 10.1103/PhysRevB.61.7459
41. J. Sun, H. T. Wang, J. L. He, and Y. J. Tian, Phys. Rev. B 71, 125132 (2005). 10.1103/PhysRevB.71.125132 (Pubitemid 40771095)
42. M. Gajdo, K. Hummer, G. Kresse, J. Furthmller, and F. Bechstedt, Phys. Rev. B 73, 045112 (2006). 10.1103/PhysRevB.73.045112 (Pubitemid 43270689)
43. L. Chiodo, J. M. Garca-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B 82, 045207 (2010). 10.1103/PhysRevB.82.045207
44. J. K. Burdett, T. Hughbanks, G. J. Miller, J. W. Richardson, and J. V. Smith, J. Am. Chem. Soc. 109, 3639 (1987). 10.1021/ja00246a021