Theoretical study of the adsorption of water molecule on (TiO2)n(n =3-6) clusters

Wuli Xuebao/Acta Physica Sinica

Volumn 58, Issue 2, 2009, Pages 887-892

  Chen, Hong Shan ^a   Meng, Fan Shun ^a   Li, Xiang Fu ^a   Zhang, Su Ling ^a  

^a NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Genetic algorithm; H2O adsorption; TiO2 cluster

Indexed keywords

EID: 62249161460     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (27)

1. Fujishima A, Honda K 1972 Nature 238 37
2. Zhao Z Y, Liu Q J, Zhang J, Zhu Z Q 2007 Acta Phys. Sin. 56 1048 (in Chinese)
3. Xu L, Tang C Q, Dai L, Tang D H, Ma X G 2007 Acta Phys. Sin. 56 6592 (in Chinese)
4. Linsebigler A L, Lu G Q, Yates J T 1995 Chem. Rev. 95 735
5. Vittadini A, Selloni A, Rotzinger F P, Gratzel M 1998 Phys. Rev. Lett. 81 2954
6. Schaub R, Thostrup P, Lopez N, Laægsgaard E, Stensgaard I, Nørskov J K, Besenbacher F 2001 Phys. Rev. Lett. 87 266104
7. Harris L A, Quong A A 2004 Phys. Rev. Lett. 93 086105
8. Lindan P J D, Harrison N M, Gillan M J 1998 Phys. Rev. Lett. 80 762
9. Lindan P J D, Zhang C J 2005 Phys. Rev. Lett. 95 029601
10. Lindan P J D, Zhang C J 2005 Phys. Rev. B 72 075439
11. Zhang C J, Lindan P J D 2003 J. Chem. Phys. 118 4620
12. Zhang C J, Lindan P J D 2003 J. Chem. Phys. 119 9183
13. Zhang C J, Lindan P J D 2004 J. Chem. Phys. 121 3811
14. Redfern P C, Zapol P, Curtiss L A, Rajh T, Thumauer M C 2003 J. Phys. Chem. B 107 11419
15. Koparde V N, Cummings P T 2007 J. Phys. Chem. C 111 6920
16. Mamontov E, Vlcek L, Wesolowski D J, Cummings P T, Wang W, Anovitz L M, Rosenqvist J, Brown C M, Sakai V G 2007 J. Phys. Chem. C 111 4328
17. Wang G H 2003 Cluster Physics (Shanghai: Shanghai Scientific and Technical Publishers) p8 (in Chinese)
18. Wang G H 2000 Prog. Phys. 20 251 (in Chinese)
19. Zhang S L, Chen H S, Song Y, Yin Y H 2007 Acta Phys. Sin. 56 2553 (in Chinese)
20. Bandura A V, Kubicki J D 2003 J. Phys. Chem. B 107 11072
21. Předota M, Bandura A V, Cummings P T, Kubicki J D, Wesolowski D J, Chialvo A A, Machesky M L 2004 J. Phys. Chem. B 108 12049
22. Qu Z W, Kroes G J 2006 J. Phys. Chem. B 110 8998
23. Reed A E, Curtiss L A, Weinhold F 1988 Chem. Rev. 88 899
24. FrischM J, Trucks G W, Schlegel H B, et al 2004 Gaussian Inc, Wallingford CT
25. Casarin M, Maocato C, Vittadini A 1998 J. Phys. Chem. B 102 10745
26. Casarin M, Maccato C, Vittadini A 1999 Appl. Surf. Sci. 142 196
27. Hugenschmidt M B, Gamble L, Campbell C T 1994 Suif. Sci. 302 329