Density functional characterization of the electronic structure and optical properties of N-doped, La-doped, and N/La-codoped SrTiO3

Journal of Physical Chemistry C

Volumn 113, Issue 33, 2009, Pages 15046-15050

  Wei, Wei ^a   Dai, Ying ^a   Guo, Meng ^a   Yu, Lin ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; CHEMICAL ORIGIN; CO-DOPED; CODOPING METHOD; DENSITY FUNCTIONALS; DONOR-ACCEPTOR PAIRS; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; FIRST-PRINCIPLES DFT CALCULATIONS; N-DOPED; PHOTOCATALYTIC ACTIVITIES; RECOMBINATION CENTERS; SRTIO; VALENCE BAND EDGES; VISIBLE LIGHT; WIDE-BAND-GAP SEMICONDUCTOR;

ELECTRONIC STRUCTURE; ENERGY GAP; LANTHANUM; LIGHT TRANSMISSION; OPTICAL PROPERTIES; OXYGEN; OXYGEN VACANCIES; PHOTOCATALYSIS; STRONTIUM ALLOYS; SULFUR COMPOUNDS;

DOPING (ADDITIVES);

EID: 69049103272     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp902567j     Document Type: Article

References (40)

1. Wrighton, M. S.; Ellis, A. B.; Wolczanski, P. T.; Morse, D. L.; Abrahamson, H. B.; Ginley, D. S. J. Am. Chem. Soc. 1976, 98, 277.
2. Lehn, J. M.; Sauvage, J. P.; Ziessel, R. Nouv. J. Chim. 1980, 4, 62.
3. Maglizzo, R. S.; Krasna, A. I. Photochem. Photobiol. 1983, 38, 15.
4. Lehn, J. M.; Sauvage, J. P.; Ziessel, R.; Hiraire, L. Isr. J. Chem. 1982, 22.
5. Domen, K.; Kudo, A.; Onishi, T.; Kosugi, N.; Kuroda, K. J. Phys. Chem. 1986, 90, 292.
6. Kumar, A.; Santangelo, P. G.; Lewis, N. S. J. Phys. Chem. 1992, 96, 834.
7. Chang, C.; Ray, B.; Paul, D. K.; Demydov, D.; Klabunde, K. J. J. Mol. Catal. A: Chem. 2008, 281, 99.
8. Liu, Y.; Xie, L.; Li, Y.; Yang, R.; Qu, J. L.; Li, Y. Q.; Li, X. G. J. Power Sources 2008, 183, 701.
9. Puangpetch, T.; Sreethawong, T.; Yoshikawa, S.; Chavadej, S. J. Mol. Catal. A: Chem. 2008, 287, 70.
10. Wang, D.; Ye, J.; Kako, T.; Kimura, T. J. Phys. Chem. B 2006, 110, 15824.
11. Irie, H.; Maruyama, Y.; Hashimoto, K. J. Phys. Chem. C 2007, 111, 1847.
12. Konta, R.; Ishii, T.; Kato, H.; Kudo, A. J. Phys. Chem. B 2004, 108, 8992.
13. Wang, J.; Yin, S.; Komatsu, M.; Zhang, Q.; Saito, F.; Sato, T. J. Ceram. Soc. Jpn. 2004, 5, S1408.
14. Wang, J.; Yin, S.; Komatsu, M.; Sato, T. J. Eur. Ceram. Soc. 2004, 25, 3207.
15. Ohno, T.; Tsubota, S.; Nakamura, U.; Sayama, Z. Appl. Catal. A: Gen. 2005, 288, 74.
16. Herrmann, J. M.; Disdier, J.; Pichat, P. Chem. Phys. Lett. 1984, 108, 618.
17. Serpone, N.; Lawless, D. Langmuir 1994, 10, 643.
18. Sakata, Y.; Yamamoto, T.; Okazaki, T.; Imamura, H.; Tsuchida, S. Chem. Lett. 1998, 27, 1253.
19. Campet, G.; Dare-Edwards, M. P.; Hamnett, A.; Goodenough, J. B. Nouv. J. Chim. 1980, 4, 501.
20. Mackor, A.; Blasse, G. Chem. Phys. Lett. 1981, 77, 6.
21. Lam, R. U. E. T.; Haart, L. G. J. D.; Wiersma, A. W.; Blasse, G.; Tinnemans, A. H. A.; Mackor, A. Mater. Res. Bull. 1981, 16, 1593.
22. Kato, H.; Kudo, A. J. Phys. Chem. B 2002, 106, 5029.
23. Liu, J. W.; Chen, G.; Li, Z. H.; Zhang, Z. G. J. Solid State Chem. 2006, 179, 3704.
24. Ishii, T.; Kato, H.; Kudo, A. J. Photochem Photobiol A: Chem. 2004, 163, 181.
25. Wang, J.; Yin, S.; Komatsu, M.; Zhang, Q.; Saito, F.; Sato, T. J. Photochem. Photobiol. A: Chem. 2004, 165, 149.
26. Qin, Y.; Wang, G.; Wang, Y. Catal. Commun. 2007, 8, 926.
27. Wang, J.; Yin, S.; Komatsu, M.; Sato, T. J. Eur. Ceram. Soc. 2005, 25, 3207.
28. Miyauchi, M.; Takashio, M.; Tobimatsu, H. Langmuir 2004, 20, 232.
29. Wei, W.; Dai, Y.; Jin, H.; Huang, B. J. Phys. D: Appl. Phys. 2009, 42, 055401.
30. Yan, Y.; Li, J.; Wei, S.; Al-Jassim, M. M. Phys. Rev. Lett. 2007, 98, 135506.
31. Bergman, P.; Ying, G.; Monemar, B.; Holtz, P. O. J. Appl. Phys. 1987, 61, 4589.
32. Segall, M. D.; Lindan, P. L. D.; Probert, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C. J. Phys.: Condens. Matter 2002, 14, 2717.
33. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
34. Perdew, J. P.; Bruke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
35. Vanderbilt, D. Phys. ReV. B 1990, 41, 7892.
36. Milman, V.; Winkler, B.; White, J. A.; Pickard, C. J.; Payne, M. C.; Akhmatskaya, E. V.; Nobes, R. H. Int. J. Quantum Chem. 2000, 77, 895.
37. Monkorst, H. J.; Pack, J. D. Phys. ReV. B 1976, 13, 5188.
38. Yang, K. S.; Dai, Y.; Huang, B. B. J. Phys. Chem. C 2007, 111, 12086.
39. Serpone, N. J. Phys. Chem. B 2006, 110, 24287.
40. Valentin, C. Di.; Finazzi, E.; Pacchioni, G. Chem. Mater. 2008, 20, 3706.