Chemical and optical properties of carbon-doped TiO 2: A density-functional study

Applied Physics Letters

Volumn 100, Issue 10, 2012, Pages

  Lu, Jibao ^a   Dai, Ying ^a   Guo, Meng ^a   Yu, Lin ^a   Lai, Kangrong ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANATASE TIO; BASIC PROPERTIES; C-DOPED; DENSITY-FUNCTIONAL STUDY; RUTILE PHASE; SYNTHESIS CONDITIONS; TIO;

BINDING ENERGY; MAGNETIC PROPERTIES; OPTICAL PROPERTIES; OXIDE MINERALS;

TITANIUM DIOXIDE;

EID: 84863373192     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3693525     Document Type: Article

References (22)

1. S. U. M. Khan, M. Al-Shahry, and W. B. Ingler, Jr., Science 297, 2243 (2002). 10.1126/science.1075035
2. C. D. Valentin, G. Pacchioni, and A. Selloni, Chem. Mater. 17, 6656 (2005). 10.1021/cm051921h
3. K. Yang, Y. Dai, B. Huang, and M.-H. Whangbo, J. Phys. Chem. C 113, 2624 (2009). 10.1021/jp808483a
4. D.-E. Gu, Y. Lu, B.-C. Yang, and Y.-D. Hu, Chem. Commun. 2008, 2453.
5. W. Ren, Z. Ai, F. Jia, L. Zhang, X. Fan, and Z. Zou, Appl. Catal., B 69, 138 (2007). 10.1016/j.apcatb.2006.06.015
6. L. Mai, C. Huang, D. Wang, Z. Zhang, and Y. Wang, Appl. Surf. Sci. 255, 9285 (2009). 10.1016/j.apsusc.2009.07.027
7. H. Li, D. Wang, H. Fan, P. Wang, T. Jiang, and T. Xie, J. Colloid Interface Sci. 354, 175 (2011). 10.1016/j.jcis.2010.10.048
8. Y. Park, W. Kim, H. Park, T. Tachikawa, T. Majima, and W. Choi, Appl. Catal., B 91, 355 (2009). 10.1016/j.apcatb.2009.06.001
9. H. Kamisaka, T. Adachi, and K. Yamashita, J. Chem. Phys. 123, 084704 (2005). 10.1063/1.2007630
10. X. Chen and C. Burda, J. Am. Chem. Soc. 130, 5018 (2008). 10.1021/ja711023z
11. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
12. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
13. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46. 6671
14. J. P. Perdew, K. Bruke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
15. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
16. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994). 10.1103/PhysRevB.49.16223
17. J. Lu, K. Yang, H. Jin, Y. Dai, and B. Huang, J. Solid State Chem. 184, 1148 (2011). 10.1016/j.jssc.2011.03.037
18. W.-J. Yin, S.-H. Wei, M. M. Al-Jassim, and Y. Yan, Phys. Rev. Lett. 106, 066801 (2011). 10.1103/PhysRevLett.106.066801
19. L. Tsetseris, Phys. Rev. B 84, 165201 (2011). 10.1103/PhysRevB.84.165201
20. H. Pan, J. Yi, L. Shen, R. Wu, J. Yang, J. Lin, Y. Feng, J. Ding, L. Van, and J. Yin, Phys. Rev. Lett. 99, 127201 (2007). 10.1103/PhysRevLett.99.127201
21. K. Yang, Y. Dai, B. Huang, and M.-H. Whangbo, Appl. Phys. Lett. 93, 132507 (2008). 10.1063/1.2996024
22. X. Ye, W. Zhong, M. Xu, X. Qi, C. Au, and Y. Du, Phys. Lett. A 373, 3684 (2009). 10.1016/j.physleta.2009.08.007