Water adsorption onto y and v sites at the surface of the YVO4 photocatalyst and related electronic properties

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Oshikiri, Mitsutake ^a   Boero, Mauro ^b,c   Matsushita, Akiyuki ^a   Ye, Jinhua ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b UNIVERSITY OF TSUKUBA   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION PROCESS; ADSORPTION PROPERTIES; CATALYST SURFACES; CATALYTIC PROPERTIES; ENERGY LEVEL; EXCELLENT PERFORMANCE; FIRST PRINCIPLES MOLECULAR DYNAMICS; ORBITALS; PROTON REDUCTION; ULTRAVIOLET REGION; WATER ADSORPTION; WATER MOLECULE;

ADSORPTION; DISSOCIATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; OXYGEN; PHOTOCATALYSIS; VANADIUM; VANADIUM ALLOYS; WATER ANALYSIS;

DEWATERING;

OXYGEN; VANADIUM; WATER; YTTRIUM;

ADSORPTION; ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; PHOTOCHEMISTRY; SURFACE PROPERTY;

ADSORPTION; CATALYSIS; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXYGEN; PHOTOCHEMICAL PROCESSES; SURFACE PROPERTIES; VANADIUM; WATER; YTTRIUM;

EID: 67651183973     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3170928     Document Type: Article

References (16)

1. A. Kudo, K. Omori, and H. Kato, J. Am. Chem. Soc. 0002-7863 121, 11459 (1999). 10.1021/ja992541y (Pubitemid 30010476)
2. A. Kudo, K. Ueda, H. Kato, and I. Mikami, Catal. Lett. 1011-372X 53, 229 (1998). 10.1023/A:1019034728816
3. J. Ye, Z. Zou, M. Oshikiri, A. Matsushita, M. Shimoda, M. Imai, and T. Shishido, Chem. Phys. Lett. 0009-2614 356, 221 (2002). 10.1016/S0009-2614(02) 00254-3
4. M. Oshikiri, M. Boero, J. Ye, Z. Zou, and G. Kido, J. Chem. Phys. 0021-9606 117, 7313 (2002). 10.1063/1.1507101 (Pubitemid 35354176)
5. J. Ye, Z. Zou, M. Oshikiri, and T. Shishido, Mater. Sci. Forum 0255-5476 423-425, 825 (2003). 10.4028/www.scientific.net/MSF.423-425.825
6. 2 as indicated in Table in this article.
7. J. A. Baglio and G. Gashurov, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 0567-7408 24, 292 (1968). 10.1107/S0567740868002189
8. A. W. Sleight, H. -y. Chen, and A. Ferretti, Mater. Res. Bull. 0025-5408 14, 1571 (1979). 10.1016/0025-5408(72)90227-9 (Pubitemid 10444997)
9. P. Császár and P. Pulay, J. Mol. Struct. 0022-2860 114, 31 (1984). 10.1016/S0022-2860(84)87198-7
10. R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 55, 2471 (1985). 10.1103/PhysRevLett.55.2471
11. A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
12. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
13. N. Troullier and J. L. Martins, Phys. Rev. B 0163-1829 43, 1993 (1991). 10.1103/PhysRevB.43.1993
14. M. Oshikiri, M. Boero, A. Matsushita, and J. Ye, J. Electroceram. 1385-3449 22, 114 (2009). 10.1007/s10832-007-9380-3
15. M. Oshikiri, M. Boero, and J. Ye, Mater. Res. Soc. Symp. Proc. 0272-9172 751, Z3.55 (2003).
16. A. Vittadini, A. Selloni, F. P. Rotzinger, and M. Grätzel, Phys. Rev. Lett. 0031-9007 81, 2954 (1998). 10.1103/PhysRevLett.81.2954