Electronic and photonic behavior of (Fe or Co)-C codoped TiO2 mediated by H ions: First principles calculations

Chemical Physics Letters

Volumn 638, Issue , 2015, Pages 161-167

  Zhao, Ya Fei ^a   Li, Can ^a   Gong, Yin Yan ^a   Niu, Leng Yuan ^a   Liu, Xin Juan ^a   Chi, Bao Quan ^a  

^a CHINA JILIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRONIC PROPERTIES; ENERGY GAP; HOLE MOBILITY; PHOTOCATALYSTS; PHOTONIC BAND GAP; TITANIUM DIOXIDE;

ELECTRON HOLE RECOMBINATION RATE; ELECTRONIC DISTRIBUTION; ELECTRONIC TRANSITION ENERGIES; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; PHOTOCATALYTIC ACTIVITIES; PHOTONIC BEHAVIOR; TIO2-BASED PHOTOCATALYSTS;

IRON COMPOUNDS;

EID: 84940643495     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2015.08.049     Document Type: Article

References (50)

1. M.R. Hoffmann, S.T. Matrin, C. Wonyong, and D.W. Bahnemann Chem. Rev. 95 1995 69
2. A.L. Linsebigler, G. Lu, and J.T. Yates Chem. Rev. 95 1995 735
3. I. Nakamura, N. Negishi, S. Kutsuna, T. Ihara, S. Sugihara, and K.J.M. Takeuchi Catal. A: Chem. 161 2000 205
4. S. Wang, L. Zhao, L. Bai, J. Yan, Q. Jiang, and J.S. Lian J. Mater. Chem. A 2 2014 7439
5. T. Xia, N. Li, Y.L. Zhang, M.B. Kruger, J. Murowchick, A. Selloni, and X.B. Chen ACS Appl. Mater. Inter. 5 2013 9883
6. H. Irie, Y. Watanabe, and K. Hashimoto Chem. Lett. 8 2003 772
7. T. Ohno, M. Akiyoshi, T. Umebayashi, K. Asai, T. Mitsui, and M. Matsumura Appl. Catal. A: Gen. 1 2004 115
8. S.N.R. Inturi, T. Boningari, M. Suidan, and P.G. Smirniotis Appl. Catal. B: Environ. 144 2014 333
9. J.C. Yu, J.G. Yu, W.K. Ho, Z.T. Jiang, and L.Z. Zhang Chem. Mater. 9 2002 3808
10. X.P. Han, and G.S. Shao J. Phys. Chem. C 115 2011 8274
11. P. Romero-Gomez, C. Lopez-Santos, A. Borras, J.P. Espinos, A. Palmero, and A.R. Gonzalez-Elipe Chem. Phys. Lett. 582 2014 95
12. F. Spadavecchia, G. Cappelletti, S. Ardizzone, M. Ceotto, and L. Falciola J. Phys. Chem. C 115 2011 6381
13. N. Bahadur, R. Pasricha, G.S. Chand, and R.K. Kotnala Mater. Chem. Phys. 133 2011 471
14. A.D. Paola, L.E. Garcia, and S. Ikeda Catal. Today 75 2002 87
15. J.W. Pan, C. Li, Y.F. Zhao, R.X. Liu, Y.Y. Gong, L.Y. Niu, X.J. Liu, and B.Q. Chi Chem. Phys. Lett. 628 2015 43
16. L. Samet, J.B. Nasseur, R. Chtourou, K. March, and O. Stephan Mater. Charact. 85 2013 1
17. G. Xin, H.P. Pan, D. Chen, Z.H. Zhang, and B. Wen J. Phys. Chem. Solids 74 2013 286
18. V. Stengl, and S. Bakardjieva J. Phys. Chem. C 114 2010 19308
19. D.C. Cronemeyer Phys. Rev. 113 1959 1222
20. W.X. Tang, E. Ni, J. Yuan, and et al. Adv. Mater. Res. 833 2014 84
21. S. Wang, X.J. Yang, Q. Jiang, and J.S. Lian Mater. Sci. Semicond. Process. 24 2014 247
22. R. Long, and N.J. English Chem. Phys. Lett. 478 2009 175
23. J.W. Liu, R. Han, Y. Zhao, H.T. Wang, W.J. Lu, T.F. Yu, and Y.X. Zhang J. Phys. Chem. C 115 2011 4507
24. H. Pan, Y.W. Zhang, V.B. Shenoy, and H.J. Gao J. Phys. Chem. C 115 2011 12224
25. J. Yu, Y.L. Yang, R.Q. Fan, and et al. J. Power Sources 243 2013 436
26. M. Li, J.Y. Zhang, D. Guo, and Y. Zhang Chem. Phys. Lett. 539-540 2012 175
27. X.P. Cao, D. Li, W.H. Jing, W.H. Xing, and Y.Q. Fan J. Mater. Chem. 22 2012 15309
28. C.Q. Sun Heidelberg New York Dordrecht London Singapore vol. 108 2014 805
29. L. Li, H.W. Tian, F.L. Meng, X.Y. Hu, W.T. Zheng, and C.Q. Sun Appl. Surf. Sci. 317 2014 568
30. L. Mi, P. Xu, H. Shen, and P.N. Wang Appl. Phys. Lett. 90 2007 171909
31. Y. Ding, X. Xu, Z. Gan, R. Xiong, and H. Liu Solid. State. Phenom. 78 2012 181
32. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
33. D.R. Hamann, M. Schluter, and C. Chiang Phys. Rev. Lett. 43 1979 1494
34. C. Li, J.C. Li, J.S. Lian, and Q. Jiang J. Appl. Phys. 106 2009 094102
35. W.E. Pickett, S.C. Erwin, and E.C. Ethridge Phys. Rev. B 58 1998 1201
36. C. Li, Y.F. Zhao, Y.Y. Gong, T. Wang, and C.Q. Sun Phys. Chem. Chem. Phys. 16 2014 21446
37. http://www.webelements.com
38. X.S. Du, Q.X. Li, H.B. Su, and J.L. Yang Phys. Rev. B 74 2006 233201
39. M. Horn, C.F. Schwerdtfeger, E.P. Meagher, Z. Kristallogr, and Z. Krist New Cryst. Struct. 136 1972 273
40. V.G. Hadjicv, M.N. Iliev, and I.V. Vrgilov J. Phys. C: Solid State Phys. 21 1988 L199
41. W.T. Geng, and K.S. Kim Solid State Commun. 129 2004 741
42. A.R. West Basic Solid State Chemistry 1999 John Wiley Chichester, UK
43. T.H. Wang, Y.F. Zhu, and Q. Jiang J. Phys. Chem. C 117 2013 12873
44. Y.T. Lin, C.H. Weng, Y.H. Lin, C.C. Shiesh, and F.Y. Chen Sep. Purif. Technol. 116 2013 114
45. Y.M. Wu, J.L. Zhang, L. Xiao, and F. Chen Appl. Surf. Sci. 256 2010 4260
46. J.F. Xie, Z.Y. Zhang, D.Z. Yang, D.S. Xue, and M.S. Si J. Phys. Chem. Lett. 5 2014 4073
47. Y.Q. Cai, G. Zhang, and Y.W. Zhang J. Am. Chem. Soc. 136 2014 6269
48. M.A. Butler J. Appl. Phys. 48 1977 1914
49. N. Patel, R. Jaiswal, R. Warang, G. Scarduelli, A. Dashora, B.L. Ahuja, D.C. Kothari, and A. Miotelloa Appl. Catal. B: Environ. 150-151 2014 74
50. Z.Y. Zhao, Z.S. Li, and Z.G. Zou Chem. Phys. Chem. 13 2012 3836