First-principles study on nonmetallic cation doping anatase TiO2

Gongneng Cailiao/Journal of Functional Materials

Volumn 39, Issue 6, 2008, Pages 953-956

  Zhao, Zong Yan ^a   Liu, Qing Ju ^a   Zhu, Zhong Qi ^a   Zhang, Jin ^a   Liu, Qiang ^a  

^a YUNNAN UNIVERSITY   (China)

Author keywords

Anatase TiO2; First principles; Nonmetallic cation doping; Photocatalytic properties

Indexed keywords

CRYSTAL IMPURITIES; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; SEMICONDUCTING CADMIUM TELLURIDE; TITANIUM DIOXIDE; TITANIUM OXIDES;

ANATASE TIO; CATION DOPING; FIRST PRINCIPLES STUDIES; FORMATION ENERGIES; OPTICAL (PET) (OPET);

CRYSTAL STRUCTURE;

EID: 47549089031     PISSN: 10019731     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (17)

1. Fujishima A, Honda K. [J]. Nature, 1972, 238: 37-38.
2. Dhananjay S B, Vishwas G P, Anthony A B. [J]. J Chem Tech Biot, 2001, 77: 102-116.
3. Jing LQ, Sun X J, Shang J, et al. [J]. Solar Energy Materials and Solar Cells, 2003, 79: 133-151.
4. Juan Z, Xu D Y. [J]. Building and Environment, 2003, 38: 645-654.
5. Asahi R, Morikawa T, Ohwakl T. [J]. Science, 2001, 293: 269-271.
6. Irie H, Watanabe Y, Hashimoto K. [J]. Chem Lett, 2003, 32: 772.
7. Hong X T, Wang Z P, Cai W M. [J]. Chem Mater, 2005, 17: 1548-1552.
8. Umebayashi T, Yamaki T, Tanaka S. [J]. Chem Lett, 2003, 32: 330.
9. Segall M D, Philip J D L, et al. [J]. J Phys: Dondens Matter, 2002, 14: 2717-2743.
10. Ceperley D M, Alder B J. [J]. Phys Rev Lett, 1980, 45: 566-569.
11. Perdew J P, Zunger A. [J]. Phy Rev B, 1981, 23: 5048-5079.
12. Burdett J K, Hughbanks T. [J]. J Am Chem Soc, 1987, 109: 3639-3646.
13. Cui X Y, Medvedeva J E, Delley B, et al. [J]. Phys Rev Lett, 2005, 95: 256404.
14. Sato J, Kobayashi H, Inoue Y. [J]. J Phys Chem B, 2003, 107: 7970-7975.
15. John P P, Mel L. [J]. Phys Rev Lett, 1983, 51: 1884-1887.