Rational design of selective, sulfur-resistant oxidation emissions catalysts

Journal of Physical Chemistry B

Volumn 110, Issue 13, 2006, Pages 6856-6863

  Tang, Hairong ^a   Trout, Bernhardt L ^a  

^a USA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CATALYST SELECTIVITY; CHEMICAL RESISTANCE; ELECTRONIC STRUCTURE; OXIDATION; SULFUR;

ENVIRONMENTAL APPLICATION; REACTION BARRIERS; SULFUR-RESISTANT OXIDATION EMISSIONS; SURFACE CATALYSIS;

CATALYSTS;

EID: 33646341754     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054112u     Document Type: Article

References (36)

1. Gross, W. F. B. P.; Greene, D. F.; Kearby, K. K. U.S. Patent 3,370,914.
2. Shelef, M. Chem. Rev. 1995, 95, 209.
3. Takahashi, N.; et al. In Proceedings of the First World Congress on Environmental Catalysis, Pisa, Italy, May 1-5, 1995; Centi, C., Perathoner, S., Cristiani, C., Forzatti, P., Eds.; Societa Chimica Italiana: Rome; pp 45-48.
4. Sachtler, W. M. H. Le Vide 1973, 28, 67.
5. Besenbacher, F.; Chorkendorff, I.; Clausen, B. S.; Hammer, B.; Molenbroek, A. M.; Nørskov, J. K.; Stensgaard, I. Science 1998, 279, 1913.
6. Tang, H.; Trout, B. L. J. Phys. Chem. B 2005, 109, 6948.
7. Tang, H.; Trout, B. L. J. Phys. Chem. B 2005, 109, 17630.
8. Hammer, B. Phys. Rev. Lett. 1999, 83, 3681.
9. Burch, R.; Daniells, S. T.; Hu, P. J. Chem. Phys. 2002, 117, 2902.
10. Shelef, M.; McCabe, R. W. Catal. Today 2000, 62, 35.
11. http://www.fysik.dtu.dk/CAMP/dacapo.html.
12. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
13. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
14. Laasonen, K.; Pasquarello, A.; Car, R.; Lee, C.; Vanderblit, D. Phys. Rev. B 1993, 47, 10142.
15. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
16. Lin, X.; Schneider, W. F.; Trout, B. L. J. Phys. Chem. B 2004, 108, 250.
17. Mavrikakis, M.; Hammer, B.; Nørskov, J. K. Phys. Rev. Lett. 1998, 81, 2819.
18. Pallassana, V.; Neurock, M.; Hansen, L. B.; Nørskov, J. K. J. Chem. Phys. 2000, 112, 5435.
19. Aizawa, H.; Morikawa, Y.; Tsuneyuki, S.; Fukutani, K.; Ohno, T. Surf. Sci. 2002, 514, 394.
20. Lin, X.; Hass, K. C.; Schneider, W. F.; Trout, B. L. J. Phys. Chem. B 2002, 106, 12575.
21. Alavi, A.; Hu, P.; Deutsch, T.; Silvestrelli, P. L.; Hutter, J. Phys. Rev. Lett. 1998, 80, 3650.
22. Li, X.; Gewirth, A. A. J. Am. Chem. Soc. 2003, 125, 7086.
23. Tang, H.; Van der Ven, A.; Trout, B. L. Phys. Rev. B 2004, 70, 045420.
24. Kitchin, J. R.; Nørskov, J. K.; Barteau, M. A.; Chen, J. G. Phys. Rev. Lett. 2004, 93, 156801.
25. Tsai, M.-H.; Hass, K. C. Phys. Rev. B 1995, 51, 14616.
26. Hass, K. C.; Tsai, M.-H.; Kasowski, R. V. Phys. Rev. B 1996, 53, 44.
27. Hammer, B.; Nørskov, J. K. Phys. Rev. Lett. 1997, 79, 4441.
28. Jónsson, H.; Mills, G.; Jacobsen, K. W. Nudged Elastic Band Method for Finding Minimum Energy Paths of Transitions. In Classical and Quantum Dynamics in Condensed Phase Stimulations; Berne, B. J., Ed.; World Scientific: Singapore, 1998; p 385.
29. Ulisky, A.; Elber, R. J. Chem. Phys. 1990, 92, 1510.
30. Lin, X.; Schneider, W. F.; Trout, B. L. J. Phys. Chem. B 2004, 108, 13329.
31. Liu, Z.; Hu, P. J. Chem. Phys. 2001, 115, 4977.
32. Liu, Z.; Hu, P.; Lee, M. J. Chem. Phys. 2003, 119, 6282.
33. Zhang, C. J.; Baxter, R. J.; Hu, P.; Lee, M. H. J. Chem. Phys. 2001, 115, 5272.
34. Loffreda, D.; Simon, D.; Sautet, P. J. Chem. Phys. 1998, 108, 6447.
35. Nilsson, A.; Pettersson, L. G. M.; Hammer, B.; Bligaard, T.; Christensen, C. H.; Nørskov, J. K. Catal. Lett. 2005, 100, 3-4.
36. Nojima, S.; Iida, K.; Kobayashi, N. (Mitsubishi Heavy Ind., Japan) http://www.bsk.ynu.ac.jp/tatsumi/TOCAT4/poster.html (IP233).