Synergistic effects in Fe/N codoped anatase TiO2(101) surface: A theoretical study based on density functional theory calculation

Wuli Xuebao/Acta Physica Sinica

Volumn 62, Issue 20, 2013, Pages

  Li, Zong Bao ^a   Wang, Xia ^a   Jia, Li Chao ^b  

^a TONGREN UNIVERSITY   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Anatase TiO2(101); Codoped; First principles calculation; Half metallic

Indexed keywords

ANATASE TIO; CO-DOPED; DENSITIES OF STATE; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; HALF-METALLIC; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; SYNERGISTIC EFFECT;

CALCULATIONS; ELECTRONIC STRUCTURE; NITROGEN;

TITANIUM DIOXIDE;

EID: 84886638174     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: 10.7498/aps.62.203103     Document Type: Article

References (31)

1. He Y B, Tilocca A, Dulub O 2009 Nat. Mater. 24 585
2. Peng L P, Xia Z C, Yang C Q 2012 Acta Phys. Sin. 61 127104 (in Chinese)
3. Diebold U 2003 Surf. Sci. Rep. 48 53
4. Ganduglia-Pirovano M V, Hofmann A, Sauer J 2007 Surf. Sci. Rep. 62 219
5. Pacchioni G 2008 J. Chem. Phys. 128 182505
6. Besenbacher F, Lauritsen J V, Linderoth T R 2009 Surf. Sci. 603 1315
7. Regan B O, Gratzel M 1991 Nature 353 737
8. Fujishima A, Honda K 1972 Nature 238 37
9. Chen Q, Cao H H 2004 Chin. Phys. 13 2121
10. Muramatsu Y, Jin Q, Fujishima M, Tada H 2012 Appl. Catal. B: Environ. 119 74
11. Sun Y B, Zhang X Q, Li G K, Cheng Z H 2012 Chin. Phys. B 21 047503
12. Torrell M, Cunha L, Cavaleiro A, Alves E, Barradas N P, Vaz F 2012 Appl. Surf. Sci. 256 6536
13. Zhang Z D, Hou Q Y, Li C, Zhao C W 2012 Acta Phys. Sin. 61 117102 (in Chinese)
14. Zheng S K, Wu G H, Liu L 2013 Acta Phys. Sin. 62 043102 (in Chinese)
15. Liu G, Wang X W, Wang L Z, Chen Z G, Li F, Qing G, Cheng H M 2009 J. Col. Int. Sci. 334 171
16. Wang Z T, Aaron D N, Henderson Michael A, Lyubinetsky I 2012 Phys. Rev. Lett. 109 5
17. Zhao Z Y, Liu Q J, Zhu Z Q, Zhang J 2008 Acta Phys. Sin. 57 3760 (in Chinese)
18. Asahi R, Morikawa T, Ohwakl T, Aoki K, Taga Y 2001 Science 293 369
19. Valentin C D, Finazzi E, Pacchioni G, Selloni A, Livraghi S, Paganini M C, Giamello E 2007 Chem. Phys. 339 44
20. Finazzi E, Valentin C D, Selloni A, Pacchioni G 2007 J. Phys. Chem. C 111 9275
21. Lee J H, Hevia D F, Selloni A 2013 Phys. Rev. Lett. 110 5
22. Sakthivel R, Ntho T, Witcomb M, Scurrell M S 2009 Catal. Lett. 130 341
23. Subrahmanyam A, Biju K P, Rajesh P, Jagadeesh Kumar K, Raveendra Kiran M 2012 Sol. Energ. Mat. Sol. C 101 241
24. Zhang M L, Yuan Z H, Ning T, Song J P, Zheng C 2013 Sensor. Actuat. B: Chem. 176 723
25. Ramya S, Ruth Nithila S D, George R P, Nanda Gopala K D, Thinaharan C, Kamachi Mudali U 2013 Ceram. Int. 39 1695
26. Mostefa-Sba H, Domenichini B, Bourgeois S 1999 Surf. Sci. 437 107
27. Jia L C, Wu C C, Han S, Yao N, Li Y Y, Li Z B, Chi B 2011 J. Alloy. Compd. 509 6067.
28. Yang X X, Cao C D, Erickson L, Hohn K, Maghirang R, Klabunde K 2009 Appl. Catal. B 91 657
29. Kresse G, Furthermuller J 1996 Phys. Rev. B 54 11169
30. Monkhorst H J, Pack J D 1998 Phys. Rev. B 13 5188
31. Dudarev S L, Botton G A, Savarsov S Y 1998 Phys. Rev. B 57 1505