On the role of subsurface oxygen and ethylenedioxy in ethylene epoxidation on silver

Journal of Physical Chemistry C

Volumn 111, Issue 22, 2007, Pages 7992-7999

  Greeley, Jeff ^a,b   Mavrikakis, Manos ^a  

^a University of Wisconsin Madison   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENEDIOXY; KINETICALLY HINDERED; MINIMUM ENERGY; OXAMETALLACYCLES;

CHEMICAL POTENTIAL; DENSITY FUNCTIONAL THEORY; ETHYLENE; SILVER; THERMOCHEMISTRY;

OXYGEN;

EID: 34250771681     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp070490i     Document Type: Article

References (53)

1. Satterfield, C. N. Heterogeneous Catalysis in Industrial Practice, 2nd ed.; Krieger Pulishing Company: Malabar, 1996.
2. Chorkendorff, I.; Niemantsverdriet, H. Concepts of Modern Catalysis and Kinetics; Wiley-VCH: Weinheim, 2003.
3. Somorjai, G. A. Introduction to Surface Chemistry and Catalysis; John Wiley: New York, 1994.
4. Campbell, C. T. J. Catal. 1985, 94, 436.
5. Linie, S.; Barteau, M. A. J. Am. Chem. Soc. 2003, 125, 4034.
6. Linie, S.; Barteau, M. A. J. Am. Chem. Soc. 2002, 124, 310.
7. Linie, S.; Piao, H.; Adib, K.; Barteau, M. A. Angew. Chem., Intl. Ed. 2004, 43, 2918.
8. Linie,. S.; Barteau, M. A. J. Catal. 2003, 214, 200.
9. Torres, D.; Lopez, N.; Illas, F.; Lambert, R. M. J. Am. Chem. Soc. 2005, 127, 10774.
10. Stegelmann, C.; Schiødt, N. C.; Campbell, C. T.; Stoltze, P. J. Catal. 2004, 221, 630.
11. Bulushev, D. A.; Paukshtis, E. A.; Nogin, Y. N.; Bal'zhinimaev, B. S. Appl. Catal., A 1995, 123, 301.
12. Capote, A. J.; Madix, R. J. J. Am. Chem. Soc. 1989, 111, 3570.
13. Grant, R. B.; Lambert, R. M. J. Catal. 1985, 92, 364.
14. van Santen, R. A.; Kuipers, H. P. C. E. Adv. Catal. 1987, 35, 265.
15. Bal'zhinimaev, B. S. Kinet. Catal. 1999, 40, 795.
16. Carter, E. A.; Goddard, W. A., III. Surf. Sci. 1989, 209, 243.
17. Bukhtiyarov, V. I.; Prosvirin, I. P.; Kvon, R. I. Surf. Sci. Lett. 1994, 320, 47.
18. Bukhtiyarov, V. I.; Hävecker, M.; Kaichev, V. V.; Knop-Gericke, A.; Mayer, R. W.; Schlögl, R. Phys. Rev. B 2003, 67, 235422.
19. Bukhtiyarov, V. I.; Nozovskii, A. I.; Bluhm, H.; Havecker, M.; Kleimenov, E.; Knop-Gericke, A.; Schlogl, R. J. Catal. 2006, 238, 260.
20. van Santen, R. A.; de Groot, C. P. M. J. Catal. 1986, 98, 530.
21. Temkin, M. I. Adv. Catal. 1979, 28, 173.
22. Carlisle, C. I.; King, D. A. Phys. Rev. Lett. 2000, 84, 3899.
23. Bocquet, M.-L.; Michaelides, A.; Loffreda, D.; Sautet, P.; Alavi, A.; King, D. A. J. Am. Chem. Soc. 2003, 125, 5620.
24. Michaelides, A.; Bocquet, M.-L.; Sautet, P.; Alavi, A.; King, D. A. Chem. Phys. Lett. 2003, 367, 344.
25. Li, W.-X.; Stampfl, C.; Scheffler, M. Phys. Rev. Lett. 2003, 90, 256102.
26. Schnadt, J.; Michaelides, A.; Knudsen, J.; Vang, R. T.; Reuter, K.; Laegsgaard, E.; Scheffler, M.; Besenbacher, F. Phys. Rev. Lett. 2006, 96, 146101.
27. Schmid, M.; Reicho, A.; Stierle, A.; Costina, I.; Klikovits, J.; Kostelnik, P.; Dubay, O.; Kresse, G.; Gustafson, J.; Lundgren, E.; Andersen, J. N.; Dosch, H.; Varga, P. Phys. Rev. Lett. 2006, 96, 146102.
28. Xu, Y.; Greeley, J.; Mavrikakis, M. J. Am. Chem. Soc. 2005, 127, 12823.
29. Bocquet, M. L.; Loffreda, D. J. Am. Chem. Soc. 2005, 127, 17207.
30. Hammer, B.; Hansen, L. B.; Nørskov, J. K. Phys. Rev. B 1999, 59, 7413.
31. Greeley, J.; Nørskov, J. K.; Mavrikakis, M. Annu. Rev. Phys. Chem. 2002, 53, 319.
32. Vitos, L.; Ruban, A. V.; Skriver, H. L.; Kollar, J. Surf. Sci. 1998, 411, 186.
33. Bengtsson, L. Phys. Rev. B 1999, 59, 12301.
34. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
35. 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.
36. White, J. A.; Bird, D. M. Phys. Rev. B 1994, 50, 4954.
37. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15.
38. CRC Handbook of Chemistry and Physics, 76th ed.; CRC Press: New York, 1996.
39. Ulitsky, A.; Elber, R. J. Chem. Phys. 1990, 92, 1510.
40. Mills, G.; Jonsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305.
41. Henkelman, G.; Jónsson, H. J. Chem. Phys. 2000, 113, 9978.
42. Henkelman, G.; Uberuaga, B. P.; Jónsson, H. J. Chem. Phys. 2000, 113, 9901.
43. Greeley, J.; Mavrikakis, M. Surf. Sci. 2003, 540, 215.
44. Brix, P.; Herzberg, G. J. Chem. Phys. 1953, 21, 2240.
45. Jones, R. O.; Gunnarsson, O. Rev. Modern Phys. 1989, 61, 689.
46. Kurth, S.; Perdew, J. P.; Blaha, P. Int. J. Quantum Chem. 1999, 75, 889.
47. Guo, X. C.; Madix, R. J. Surf. Sci. 2004, 564, 21.
48. Guo, X. C.; Madix, R. J. Surf. Sci. 2002, 496, 39.
49. Guo, X. C.; Madix, R. J. Surf. Sci. 2004, 550, 81.
50. Askgaard, T. S.; Nørskov, J. K.; Ovesen, C. V.; Stoltze, P. J. Catal. 1995, 156, 229.
51. Jones, G. S.; Mavrikakis, M.; Barteau, M. A.; Vohs, J. M. J. Am. Chem. Soc. 1998, 120, 3196.
52. Rydberg, H.; Dion, M.; Jacobson, N.; Schroder, E.; Hyldgaard, P.; Simak, S. I.; Langreth, D. C.; Lundqvist, B. I. Phys. Rev. Lett. 2003, 91, 126402.
53. Li, W. X.; Stampfl, C.; Scheffler, M. Phys. Rev. B 2003, 67, 45408.