Theoretical study of H2O adsorption on Zn2GeO 4 surfaces: Effects of surface state and structure-activity relationships

ACS Applied Materials and Interfaces

Volumn 5, Issue 15, 2013, Pages 6893-6901

  Liu, Li ^a,b   Zhao, Xian ^a   Sun, Honggang ^a   Jia, Chuanyi ^a   Fan, Weiliu ^a  

^a SHANDONG UNIVERSITY   (China)

^b QILU UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

density functional theory; H2O adsorption; photocatalysis; structure activity relationships; surface state; Zn2GeO 4

Indexed keywords

ADSORBATE-GEOMETRY; FUTURE DESIGNS; MOLECULAR ADSORPTION; OXYGEN DEFECT; STRUCTURE ACTIVITY RELATIONSHIPS; STRUCTURE SENSITIVE REACTIONS; SURFACE ELECTRONIC STRUCTURES; THEORETICAL STUDY;

ADSORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; GERMANIUM; PHOTOCATALYSIS; SURFACE STATES; ZINC;

SURFACE DEFECTS;

EID: 84882782361     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/am4015692     Document Type: Article

References (33)

1. Tong, H.; Ouyang, S. X.; Bi, Y. P.; Umezawa, N.; Oshikiri, M.; Ye, J. H. Adv. Mater. 2012, 24, 229-251
2. Hoffmann, M. R.; Martin, S. T.; Choi, W.; Bahnemann, D. W. Chem. Rev. 1995, 95, 69-96
3. Xie, Y. P.; Liu, G.; Yin, L. C.; Cheng, H. M. J. Mater. Chem. 2012, 22, 6746-6751
4. Wu, N. Q.; Wang, J.; Tafen, D. N.; Wang, H.; Zheng, J. G.; Lewis, J. P.; Liu, X. G.; Leonard, S. S.; Manivannan, A. J. Am. Chem. Soc. 2010, 132, 6679-6685
5. Liu, G.; Yu, J. C.; Lu, G. Q.; Cheng, H. M. Chem. Commum. 2011, 47, 6763-6783
6. Zhou, K. B.; Li, Y. D. Angew. Chem., Int. Ed. 2012, 51, 602-613
7. Mor, G. K.; Shankar, K.; Paulose, M.; Varghese, O. K.; Grimes, C. A. Nano Lett. 2005, 5, 191-195
8. Cho, I. S.; Lee, S. W.; Noh, J. H.; Kim, D. W.; Lee, D. K.; Jung, H. S.; Kim, D. W.; Hong, K. S. J. Mater. Chem. 2010, 20, 3979-3983
9. Zhou, Y.; Tian, Z. P.; Zhao, Z. Y.; Liu, Q.; Kou, J. H.; Chen, X. Y.; Gao, J.; Yan, S. C.; Zou, Z. G. ACS Appl. Mater. Interfaces 2011, 3, 3594-3601
10. Yan, S. C; Wan, L. J; Li, Z. S; Zou, Z. G. Chem. Commun. 2011, 5632-5634
11. Liu, Q.; Zhou, Y.; Kou, J. H.; Chen, X. Y.; Tian, Z. P.; Gao, J.; Yan, S. C.; Zou, Z. G. J. Am. Chem. Soc. 2010, 132, 14385-1487
12. He, H. Y.; Zapol, P.; Curtiss, L. A. J. Phys. Chem. C 2010, 114, 21474-21481
13. Liu, L.; Fan, W. L.; Zhao, X.; Sun, H. G.; Li, P.; Sun, L. M. Langmuir 2012, 28, 10415-10424
14. Wendt, S.; Schaub, R.; Matthiesen, J.; Vestergaard, E. K.; Wahlstrom, E.; Rasmussen, M. D.; Thostrup, P.; Molina, L. M.; Laegsgaard, E.; Stensgaard, I.; Hammer, B.; Besenbacher, F. Surf. Sci. 2005, 598, 226-245
15. Indrakanti, V. P.; Kubicki, J. D.; Schobert, H. H. Fuel Process. Technol. 2011, 92, 805-811
16. Pipornpong, W.; Wanbayor, R.; Ruangpornvisuti, V. Appl. Surf. Sci. 2011, 257, 10322-10328
17. Fronzi, M.; Piccinin, S.; Delley, B.; Traversa, E.; Stampfl, C. Phys. Chem. Chem. Phys. 2009, 11, 9188-9199
18. Sun, C. H.; Liao, T.; Lu, G. Q.; Smith, S. C. J. Phys. Chem. C 2012, 116, 2477-2482
19. Schaub, R.; Thostrup, P.; Lopez, N.; Laegsgaard, E.; Stensgaard, I.; Norskov, J. K.; Besenbacher, F. Phys. Rev. Lett. 2001, 87, 266104-1-4
20. Linsebigler, A. L.; Lu, G. Q.; Yates, J. T. Chem. Rev. 1995, 95, 735-758
21. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045-1097
22. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, A. K.; Pederson, R. M.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671-6687
23. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244-13249
24. Segall, M.; Lindan, P.; Probert, M.; Pickard, C.; Hasnip, P.; Clark, S.; Payne, M. J. Phys.: Condens. Matter 2002, 14, 2717-2744
25. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892-7895
26. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192
27. Zhao, Z. Y.; Li, Z. S.; Zou, Z. G. J. Phys. Chem. C 2012, 116, 7430-7441
28. Indrakanti, V. P.; Kubicki, J. D.; Schobert, H. H. Energy Environ. Sci. 2009, 2, 745-758
29. Hadidi, K.; Hancke, R.; Norby, T.; Gunnaes, A. E.; Lovvik, O. M. Int. J. Hydrogen Energy 2012, 37, 6674-6685
30. Zhao, Z. Y.; Li, Z. S.; Zou, Z. G. J. Phys. Chem. C 2012, 116, 11054-11061
31. Mulakaluri, N.; Pentcheva, R.; Scheffler, M. J. Phys. Chem. C 2010, 114, 11148-11156
32. Hammer, B.; Nielsen, O. H.; Norskov, J. K. Catal. Lett. 1997, 46, 31-35
33. Xu, H.; Zhang, R. Q.; Ng, A. M. C.; Djurisic, A. B.; Chan, H. T.; Chan, W. K.; Tong, S. Y. J. Phys. Chem. C 2011, 115, 19710-19715