Electronic and optical properties of C-codoped TiO2: A first-principles gga+u investigation N

International Journal of Modern Physics B

Volumn 27, Issue 23, 2013, Pages

  Guo, Meili ^a,b   Du, Jiulin ^a  

^a TIANJIN UNIVERSITY   (China)

^b TIANJIN INSTITUTE OF URBAN CONSTRUCTION   (China)

Author keywords

codoped; density functional theory; electronic properties; optical properties; TiO2

Indexed keywords

EID: 84881618793     PISSN: 02179792     EISSN: 17936578     Source Type: Journal    
DOI: 10.1142/S0217979213501233     Document Type: Article

References (51)

1. R. Asahi et al., Science 293, 269 (2001)
2. T. Umebayashi et al., J. Phys. Chem. Solids 63, 1909 (2002)
3. A. Di Paola et al., Catal. Today 75, 87 (2002)
4. D. Dvoranova et al., Appl. Catal. B 37, 91 (2002)
5. S. Sakthivel, M. Janczarek and H. Kisch, J. Phys. Chem. B 108, 19384 (2004)
6. S. Banerjee et al., Chem. Mater. 20, 6784 (2008)
7. W. Chengyu et al., Sep. Purif. Technol. 32, 357 (2003)
8. Y. Cho et al., Environ. Sci. Technol. 35, 966 (2001)
9. G. K. Mor et al., Nano Lett. 6, 215 (2006)
10. R. Nakamura, T. Tanaka and Y. Nakato, J. Phys. Chem. B 108, 10617 (2004)
11. H. Irie, Y. Watanabe and K. Hashimoto, Chem. Lett. 32, 772 (2003)
12. T. Ohno, T. Mitsui and M. Matsumura, Chem. Lett. 32, 364 (2003)
13. S. In et al., J. Am. Chem. Soc. 129, 13790 (2007)
14. M. Sathish et al., Chem. Mater. 17, 6349 (2005)
15. D. Li et al., Chem. Mater. 17, 2596 (2005)
16. F. Dong, W. Zhao and Z. Wu, Nanotechnology 19, 365607 (2008)
17. G. Liu et al., Angew. Chem. Int. Ed. 47, 4516 (2008)
18. M. Guo, X. D. Zhang and J. Du, Phys. Status Solidi-Rapid Res. Lett. 6, 172 (2012)
19. M. Behpour and V. Atouf, Appl. Surf. Sci. 258, 6595 (2012)
20. Y. Cong et al., Chem. Lett. 35, 800 (2006)
21. D. Chen et al., Ind. Eng. Chem. Res. 46, 2741 (2007)
22. P. Wang et al., Water Res. 45, 5015 (2011)
23. X. Wang and T. T. Lim, Appl. Catal. B 100, 355 (2010)
24. Q. C. Xu et al., J. Hazard. Mater. 188, 172 (2011)
25. L. H. Li et al., Mater. Res. Bull. 47, 1508 (2012)
26. J. Wang et al., Rare Met. 30, 161 (2011)
27. M. Segall et al., J. Phys.: Condens. Matter 14, 2717 (2002)
28. M. C. Payne et al., Rev. Mod. Phys. 64, 1045 (1992)
29. J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
30. J. Sun et al., Phys. Rev. B 73, 045108 (2006)
31. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990)
32. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976)
33. D. Chadi, Phys. Rev. B 16, 1746 (1977)
34. V. I. Anisimov, F. Aryasetiawan and A. Lichtenstein, J. Phys.: Conden. Matter 9, 767 (1997)
35. S. G. Park, B. Magyari-K?ope and Y. Nishi, Phys. Rev. B 82, 115109 (2010)
36. R. H. Zhang et al., Phys. B: Conden. Matter 406, 3417 (2011)
37. K. Yang et al., J. Phys. Chem. C 113, 2624 (2009)
38. H. Kamisaka, T. Adachi and K. Yamashita, J. Chem. Phys. 123, 084704 (2005)
39. S. U. Khan, M. Al-Shahry and W. B. Ingler, Science 297, 2243 (2002)
40. K. Yang et al., J. Phys. Chem. C 113, 2624 (2009)
41. K. Yang et al., J. Phys. Chem. B 110, 24011 (2006)
42. Y. Gai et al., Phys. Rev. Lett. 102, 036402 (2009)
43. R. Long and N. J. English, Chem. Mater. 22, 1616 (2010)
44. X. D. Zhang et al., J. Appl. Phys. 103, 063721 (2008)
45. X. D. Zhang et al., Appl. Phys. Lett. 93, 012103 (2008)
46. C. Yu and J. C. Yu, Catal. Lett. 129, 462 (2009)
47. Z. Lin et al., J. Phys. Chem. B 109, 20948 (2005)
48. X. Chen and C. Burda, J. Am. Chem. Soc. 130, 5018 (2008)
49. J. Y. Lee, J. Park and J. H. Cho, Appl. Phys. Lett. 87, 011904 (2005)
50. X. Ling, T. Chao-Qun and Q. Jun, Acta Phys. Sin. 59, 2721 (2010)
51. C. Yu and C. Y. Jimmy, Catal. Lett. 129, 462 (2009)