Towards an understanding of promoter action in heterogeneously catalyzed ethene epoxidation: Why chlorine is the best halogen

Journal of Catalysis

Volumn 260, Issue 2, 2008, Pages 380-383

  Torres, Daniel ^a   Illas, Francesc ^a   Lambert, Richard M ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ethene epoxidation; Halogen promoters; Selectivity; Silver catalyst

Indexed keywords

ALDEHYDES; CATALYSIS; CHLORINE; DENSITY FUNCTIONAL THEORY; DESORPTION; ETHYLENE; NONMETALS; OXYGEN; SILVER;

AG(111) SURFACES; AS PROMOTERS; ATOMIC OXYGENS; CATALYST PROMOTERS; DESORPTION ENERGIES; ETHENE EPOXIDATION; ETHENE EPOXIDATIONS; HALOGEN PROMOTERS; MODEL CATALYSTS; OXAMETALLACYCLE INTERMEDIATES; PARTIAL OXIDATIONS; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; RATIONAL DESIGNS; REACTION PRODUCTS; SELECTIVITY; SILVER CATALYST;

CATALYST SELECTIVITY;

EID: 56049110467     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2008.10.011     Document Type: Article

References (31)

1. Kirk-Othmer Encyclopaedia of Chemical Technology. fifth ed. vol. 10 (2005), Wiley-Interscience, New York 658
2. Lambert R.M., Cropley R.L., Husain A., and Tikhov M.S. Chem. Commun. 10 (2003) 1184
3. Linic S., and Barteau M.A. J. Am. Chem. Soc. 124 (2002) 310
4. Linic S., and Barteau M.A. J. Am. Chem. Soc. 125 (2003) 4034
5. Bocquet M.-L., Sautet P., Cerda J., Carlisle C.I., Webb M., and King D.A. J. Am. Chem. Soc. 125 (2003) 3119
6. Bocquet M.-L., and Loffreda D. J. Am. Chem. Soc. 127 (2005) 17207
7. Torres D., Lopez N., Illas F., and Lambert R.M. J. Am. Chem. Soc. 127 (2005) 10774
8. Klust A., and Madix R.J. Surf. Sci. 600 (2006) 5025
9. Barteau M.A. Surf. Sci. 600 (2006) 5021
10. Torres D., and Illas F. J. Phys. Chem. B 110 (2006) 13310
11. Torres D., Lopez N., Illas F., and Lambert R.M. Angew. Chem. Int. Ed. 46 (2007) 2055
12. Loffreda D., Delbecq F., Vigne F., and Sautet P. Angew. Chem. Int. Ed. 44 (2005) 5279
13. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
14. Williams F.J., Bird D.P.C., Palermo A., Santra A.K., and Lambert R.M. J. Am. Chem. Soc. 126 (2004) 8509
15. Torres D., Lopez N., and Illas F. J. Catal. 243 (2006) 404
16. Henkelman G., Uberuaga B.P., and Jonsson H.J. Chem. Phys. 113 (2000) 9901
17. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
18. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
19. Torres D., Neyman K.M., and Illas F. Chem. Phys. Lett. 429 (2006) 86
20. Christensen C.H., and Nørskov J.K. J. Chem. Phys. 128 (2008) 182503
21. Honkala K., Hellman A., Remediakis I.N., Logadottir A., Carlsson A., Dahl S., Christensen C.H., and Nørskov J.K. Science 307 (2005) 555
22. Strasser P., Fan Q., Devenney M., Weinberg W.H., Liu P., and Nørskov J.K. J. Phys. Chem. B 107 (2003) 11013
23. Hammer B., Hansen L.B., and Nørskov J.K. Phys. Rev. B 59 (1999) 7413
24. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
25. Linic S., and Barteau M.A. J. Am. Chem. Soc. 126 (2004) 8086
26. Mortensen J.J., Hammer B., and Norskov J.K. Phys. Rev. Lett. 80 (1998) 4333
27. Liu Z.-P., and Hu P. J. Am. Chem. Soc. 123 (2001) 12596
28. Piao H., Adib K., and Barteau M.A. Surf. Sci. 557 (2004) 13
29. Roldán A., Torres D., Ricart J.M., and Illas F. Surf. Sci. 602 (2008) 2639
30. Bowker M., Waugh K.C., Wolfindale B., Lamble G., and King D.A. Surf. Sci. 179 (1987) 254
31. Xu Y., Greeley J., and Mavrikakis M. J. Am. Chem. Soc. 127 (2005) 12823