A microkinetic model of ammonia decomposition on a Pt overlayer on Au(1 1 1)

Journal of Molecular Catalysis A: Chemical

Volumn 325, Issue 1-2, 2010, Pages 15-24

  Rasim, Karsten ^a,c   Bobeth, Manfred ^a   Pompe, Wolfgang ^a   Seriani, Nicola ^b,d  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF VIENNA   (Austria)

^c INSTITUT DES MATÉRIAUX JEAN ROUXEL   (France)

^d ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

Ab initio simulation; Ammonia decomposition; Gold; Kinetic model; Platinum

Indexed keywords

AB INITIO SIMULATIONS; AMMONIA DECOMPOSITION; AU(1 1 1 ); DFT CALCULATION; GOLD KINETICS; MICROKINETIC MODELING; MICROKINETIC MODELS; PT(100); PT(111); STEADY-STATE SURFACES;

AMMONIA; COMPUTER SIMULATION; KINETIC THEORY;

PLATINUM;

EID: 77954176161     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2010.03.021     Document Type: Article

References (50)

1. V. Smil Nature 400 1999 415
2. R. Schlögl Angew. Chem. Int. Ed. 42 2004
3. J.A. Pool, E. Lobkovsky, and P.J. Chirik Nature 427 2004 527
4. C.H. Christensen, T. Johannessen, R.Z. Sorensen, and J.K. Norskov Catal. Today 111 2006 140
5. A. Wojcik, H. Middleton, I. Damopoulos, and J. Van Herle J. Power Sources 118 2003 342
6. M.V. Twigg Appl. Catal. B: Environ. 70 2007 2
7. J.C. Ganley, F.S. Thomas, E.G. Seebauer, and R.I. Masel Catal. Lett. 96 2004 117
8. T.V. Choudhary, A.K. Santra, C. Sivadinarayana, B.K. Min, C.-W. Yi, K. Davis, and D.W. Goodman Catal. Lett. 77 2001 1
9. M.O. Pedersen, S. Helveg, A. Ruban, I. Stensgaard, E. Laegsgaard, J.K. Norskov, and F. Besenbacher Surf. Sci. 426 1999 395
10. Y. Gohda, and A. Gross J. Electroanal. Chem. 607 2007 47
11. Y. Gohda, and A. Gross Surf. Sci. 601 2007 3702
12. O.R. Inderwildi, S.J. Jenkins, and D.A. King Surf. Sci. L103 2007
13. A. Michaelides Surf. Sci. 601 2007 3529
14. S. Kumar, and S. Zou Langmuir 23 2007 7365
15. P. Liu, X. Ge, R. Wang, H. Ma, and Y. Ding Langmuir 25 2009 561
16. G. Novell-Leruth, A. Valcarcel, A. Clotet, J.M. Ricart, and J. Perez-Ramirez J. Phys. Chem. B 109 2005 18061
17. W.K. Offermans, A.P.J. Jansen, and R.A. van Santen Surf. Sci. 600 2006 1714
18. W.K. Offermans, A.P.J. Jansen, R.A. van Santen, G. Novell-Leruth, J.M. Ricart, and J. Perez-Ramirez J. Phys. Chem. C 111 2007 17551
19. G. Novell-Leruth, A. Valcarcel, J. Perez-Ramirez, and J.M. Ricart J. Phys. Chem. C 111 2007 860
20. G. Novell-Leruth, J.M. Ricart, and J. Perez-Ramirez J. Phys. Chem. C 112 2008 13554
21. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
22. P.E. Blöchl Phys. Rev. B 50 1994 17953
23. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
24. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
25. H. Okamotot, Phase Diagram of Binary Iron Alloys 1993 ASM International
26. E.A. Brandes Smithells Metal Reference Book 6th ed. 1983 Butterworth London
27. L. Colombi Ciacchi, W. Pompe, and A. De Vita J. Phys. Chem. B 107 2003 1755
28. C. Kittel Introduction to Solid State Theory 1986 Wiley New York
29. P. Eckerlin, H. Kandler, Landolt-Börnstein 6th ed. 1971 Springer Berlin vol. III/6, p. 2
30. C. Bercegeay, and S. Bernard Phys. Rev. B 72 2005 214101
31. G. Mills, H. Jonsson, and G.K. Schenter Surf. Sci. 324 1995 305
32. G. Henkelman, and H. Jonsson J. Chem. Phys. 113 2000 9978
33. G.B. Fisher Chem. Phys. Lett. 79 1981 3
34. M. Garcia-Hernandez, N. Lopez, I.D. Moreira, J.C. Paniagua, and F. Illas Surf. Sci. 430 1999 18
35. D.R. Jennison, P.A. Schultz, and M.P. Sears Surf. Sci. 368 1996 253
36. D.Yu. Zemlyanov, M.Yu. Smirnov, and V.V. Gorodetskii Surf. Sci. 391 1997 37
37. S.C. Badescu, P. Salo, T.Ala. Nissila, S.C. Ying, K. Jacobi, Y. Wang, K. Bedürftig, and G. Ertl Phys. Rev. Lett. 88 2002 136101
38. A. Boisen, S. Dahl, J.K. Norskov, and C.H. Christensen J. Catal. 230 2005 309
39. W.L. Guthrie, J.D. Sokol, and G.A. Somorjay Surf. Sci. 109 1981 390
40. I. Chorkendorff, and J.W. Niemantsverdriet Concepts of Modern Catalysis and Kinetics 2007 Wiley-VCH p. 272
41. H. Eyring J. Chem. Phys. 3 1935 107
42. S. Gonzalez, D. Loffreda, P. Sautet, and F. Illas J. Phys. Chem. C 111 2007 11376
43. V. Rosca, and M.T.M. Koper Phys. Chem. Chem. Phys. 8 2006 2513
44. W. Tsai, J.J. Vajo, and W.H. Weinberg J. Phys. Chem. 89 1985 4926
45. A. Fernandez-Ramos, J.A. Miller, S.J. Klippenstein, and D.G. Truhlar Chem. Rev. 106 2006 4518
46. E.P. Wigner Z. Phys. Chem. Abt. B 19 1932 203
47. A.M. Mebel, L.V. Moskaleva, and M.C. Lin J. Mol. Struct. Theochem. 461-462 1999 223
48. L.-G. Petersson, H. Dannetun, J. Fogelberg, and I. Lundström Appl. Surf. Sci. 27 1986 275
49. A. Salomonsson, M. Eriksson, and H. Dannetun J. Appl. Phys. 98 2005 014505
50. J.L. Gland, and E.B. Kollin Surf. Sci. 104 1981 478