Modification of the oxidative power of ZnO(101̄0) surface by substituting some surface Zn atoms with other metals

Journal of Physical Chemistry C

Volumn 111, Issue 24, 2007, Pages 8617-8622

  Pala, Raj Ganesh S ^a   Metiu, Horia ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

OXIDATIVE POWER; SURFACE LAYERS;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); OXIDATION; SUBSTITUTION REACTIONS; SURFACE TREATMENT;

ZINC OXIDE;

EID: 34547293147     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp071671n     Document Type: Article

References (48)

1. Bartholomew, C. H.; Farrauto, R. J. Industrial Catalytic Processes: John Wiley & Sons: New York, 2006.
2. Hodnett, B. K. Heterogeneous Catalytic Oxidation; John Wiley & Sons: New York, 2000.
3. Sheldon, R.; Van Santen, R. Catalytic oxidation; World Scientific: River Edge, NJ, 1995.
4. Bielanski, A; Haber, J. Oxygen in Catalysis; Marcel Dekker: New York, 1991.
5. Twigg, M.; Spencer, S. Selective Oxidation by Heterogeneous Catalysis; Plenum Publishing: New York, 2001.
6. Centi, G.; Cavani, F.; Trifiro, F. Selective Oxidation by Hetergoneous Catalysis; Kluwer-Plenum: New York, 2001.
7. Mars, P.; van Krevelen, P. W. Chem. Eng Sci. 1954, 3, 41.
8. Doornkamp, C.; Ponec, V. J. Mol. Catal., A 2000, 162, 19.
9. Sachtler, W. M. H.; Dorgelo, G. J. H.; Fahrenfort, J.; Voorhoeve, R. J. H. Correlation between catalytic and thermodynamic parameters of transition metal oxides. In Proceedings of the Fourth International Congress on Catalysis, 1968; pp 454.
10. Chretien, S.; Metiu, H. Catal. Lett. 2006, 107, 143.
11. Bera, P.; Priolkar, K. R.; Sarode, P. R.; Hegde, M. S.; Emura, S.; Kumashiro, R.; Lalla, N. P. Chem. Mater. 2002, 14, 3591.
12. Bera, P.; Gayen, A.; Hegde, M. S.; Lalla, N. P.; Spadaro, L.; Frusteri, F.; Arena, F. J. Phys. Chem. B 2003, 107, 6122.
13. Bera, P.; Priolkar, K. R.; Gayen, A.; Sarode, P. R.; Hegde, M. S.; Emura, S.; Kumashiro, R.; Jayaram, V.; Subbanna, G. N. Chem. Mater. 2003, 15, 2049.
14. Bera, P.; Malwadkar, S.; Gayen, A.; Satyanarayana, C. V. V.; Rao, B. S.; Hegde, M. S. Catal. Lett. 2004, 96, 213.
15. Baidya, T.; Gayen, A.; Hegde, M. S.; Ravishankar, N.; Dupont, L. J. Phys. Chem. B, 2006, 110, 5262.
16. Zhao, S.; Gorte, R. J. Appl. Catal., A 2003, 248, 9.
17. Chen, Y. Z.; Liaw, B. J.; Chen, H. C. Int. J. Hydrogen Energy 2006, 31, 427.
18. Fu, Q.; Deng, W. L.; Saltsburg, H.; Flytzani-Stephanopoulos, M. Appl. Catal., B 2005, 56, 57.
19. Venezia, A. M.; Pantaleo, G.; Longo, A.; Di Carlo, G.; Casaletto, M. P.; Liotta, F. L.; Deganello, G. J. Phys. Chem. B 2005, 109, 2821.
20. Cimino, A.; Stone, F. S. Adv. Catal. 2002, 47, 141.
21. Bera, P.; Mitra, S.; Sampath, S.; Hegde, M. S. Chem. Commun. 2001, 927.
22. Dutta, G.; Waghmare, U. V.; Baidya, T.; Hegde, M. S.; Priolkar, K. R.; Sarode, P. R. Chem. Mater. 2006, 18, 3249.
23. Dutta, G.; Waghmare, U. V.; Baidya, T.; Hegde, M. S.; Priolkar, K. R.; Sarode, P. R. Catal. Lett. 2006, 108, 165.
24. Nagaveni, K.; Hegde, M. S.; Madras, G. J. Phys. Chem. B 2004, 108, 20204.
25. Dadyburjor, D. B.; Jewur, S. S.; Ruckenstein, E. Catal. Rev. Sci. Eng. 1979, 19, 293.
26. Martinez-Arias, A.; Gamarra, D.; Fernandez-Garcia, M.; Wang, X. Q.; Hanson, J. C.; Rodriguez, J. A. J. Catal. 2006, 240, 1.
27. Ricote, S.; Jacobs, G.; Milling, M.; Ji, Y. Y.; Patterson, P. M.; Davis, B. H. Appl. Catal., A 2006, 303, 35.
28. Perez-Alonso, F. J.; Melian-Cabrera, I.; Granados, M. L.; Kapteijn, F.; Fierro, J. L. G. J. Catal. 2006, 239, 340.
29. Nguyen, T. B.; Deloume, J. P.; Perrichon, V. Appl. Catal. A 2003, 249, 273.
30. Shan, W. J.; Feng, Z. C.; Li, Z. L.; Jing, Z.; Shen, W. J.; Can, L. J. Catal. 2004, 228, 206.
31. Hutchings, G. J.; Hall, M. S.; Carley, A. F.; Landon, P.; Solsona, B. E.; Kiely, C. J.; Herzing, A.; Makkee, M.; Moulijn, J. A.; Overweg, A.; Fierro-Gonzalez, J. C.; Guzman, J.; Gates, B. C. J. Catal. 2006, 242, 71.
32. Guzman, J.; Carrettin, S.; Corma, A. J. Am. Chem. Soc. 2005, 127, 3286.
33. Guzman, J.; Gates, B. C. J. Am. Chem. Soc. 2004, 126, 2672.
34. Guzman, J.; Gates, B. C. J. Catal. 2004, 226, 111.
35. Shapovalov, V.; Metiu, H. J. Catal. 2007, 245, 205.
36. Kohn, W. Rev. Mod. Phys. 1999, 71, 1253.
37. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
38. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Mod. Phys. 1992, 64, 1045.
39. Kresse, G.; Furthmuller, J. Comput. Mater Sci. 1996, 6, 15.
40. Kresse, G.; Furthmueller, J. Phys. Rev. B 1996, 54, 11169.
41. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758.
42. Dean, J. A. Lange's Handbook of Chemistry, 14th ed.; McGraw-Hill, Inc.: New York, 1992.
43. Samsonov, G. V. The Oxide Handbook; Springer: New York, 1982.
44. Bates, C. H.; White, W. B.; Roy, R. Science 1962, 137, 993.
45. Meyer, B.; Marx, D. Phys. Rev. B 2003, 67, 035403.
46. Kresse, G.; Dulub, O.; Diebold, U. Phys. Rev. B 2003, 68, 245409.
47. Brown, I. D. The Chemical Bond in Inorganic Chemistry: The Bond Valence Model; Oxford University Press: New York, 2006.
48. Harrison, W. A.; Kraut, E. A. Phys. Rev. B 1988, 37, 8244.