Why is metallic Pt the best catalyst for methoxy decomposition?

Journal of Natural Gas Chemistry

Volumn 20, Issue 1, 2011, Pages 90-98

  Ren, Ruipeng ^a   Niu, Cuiyu ^b   Bu, Shaoyue ^b   Zhou, Yuhua ^b   Lv, Yongkang ^a   Wang, Guichang ^b  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

^b NANKAI UNIVERSITY   (China)

Author keywords

d band center ( d); DFT calculation; metals; methoxy decomposition; molecular product

Indexed keywords

ACTIVATION BARRIERS; ALL METAL; AU(1 1 1 ); BAND CENTERS; COUPLING MATRIX ELEMENT; CU(1 1 1); D-BAND CENTERS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; EXOTHERMIC BEHAVIOR; GROUP VIII METALS; METHOXY; MOLECULAR PRODUCT; PT(111); STRUCTURE INFORMATION;

ACTIVATION ENERGY; ADSORPTION; CATALYSTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; PALLADIUM; PLATINUM; RHODIUM;

METALS;

EID: 79551518180     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(10)60158-2     Document Type: Article

References (49)

1. WH Cheng Acc Chem Res 32 8 1999 685
2. N Kruse, M Rebholz, V Matolin Surf Sci 238 1-3 1990 L457
3. SM Gates, JN Russell, JT Yates Surf Sci 159 1 1985 233
4. WS Sim, P Gardner, DA King J Phys Chem 99 43 1995 16002
5. A Berkó, TI Tamóczi, F Solymosi Surf Sci 189-190 1987 238
6. S Pollmann, A Bayer, C Ammon, HP Steinrueck z-phys-chem de 218 2004 957
7. JRB Gomes, JANF Gomes, F Illas Surf Sci 443 3 1999 165
8. AB Anderson, P Shiller Surf Sci 345 3 1996 274
9. BA Sexton Surf Sci 102 1 1981 271
10. JP Lu, MR Albert, SL Bernasek Catal Lett 6 2 1990 245
11. M Mavrikakis, MA Barteau J Mol Catal A 131 1 1998 135
12. GA Somorjai Chemistry in Two Dimensional Surface 1994 John Wiley & Sons New York
13. ZX Chen, KM Neyman, KH Lim, N Rösch Langmuir 20 19 2004 8068
14. J Greeley, M Mavríkakis J Am Chem Soc 124 24 2002 7193
15. J Greeley, M Mavríkakis J Am Chem Soc 126 12 2004 3910
16. J Greeley, M Mavríkakis J Catal 208 2 2002 291
17. JK Nørskov, T Bligaard, B Hvolbæk, F Abild-Pedersen, Chork-endorff I, H. Claus Chem Soc Rev 37 10 2008 2163
18. J Cheng, P Hu, P Ells, S French, G Kelly, M Lok J Phys Chem C 112 5 2008 1308
19. JK Nørskov, T Bligaard, A Logadottir, S Bahn, LB Hansen, M Bollinger, H Bengaard, B Hammer, Z Slivancanin, M Mavrikakis, Y Xu, S Dah, JH Jacobsen J Catal 209 2 2002 275
20. T Bligaard, JK Nørskov, S Dalh, J Matthiesen, CH Christensen, J Sehested J Catal 224 1 2004 206
21. G Kresse, J Furthmüller Comput Mater Sci 6 1 1996 15
22. G Kresse, J Furthmüller Phys Rev B 54 16 1996 11169
23. G Kresse, J Hafner Phys Rev B 47 1 1993 558
24. W Kohn, LJ Sham Phys Rev 140 4A 1965 A1133
25. JP Perdew, JA Chevary, SH Vosko, KA Jachson, MR Pederson, DJ Singh, C Fiolhais Phys Rev B 46 11 1992 6671
26. G Kresse, D Joubert Phys Rev B 59 3 1999 1758
27. PE Blöchl Phys Rev B 50 24 1994 17953
28. G Mills, H Jónsson Phys Rev Lett 72 7 1994 1124
29. G Mills, H Jónsson, GK Schenter Surf Sci 324 2-3 1995 305
30. G Henkelman, P Uberuaga, H Jonsson J Chem Phys 113 22 2000 9901
31. HJ Monkhorst, JD Pack Phys Rev B 13 12 1976 5188
32. H Yang, JL Whitten, CM Friend Surf Sci 313 3 1994 295
33. K Hermann, C Meyer Surf Sci 277 3 1992 377
34. GC Wang, YH Zhou, JJ Nakamura J Chem Phys 122 4 2005 44707
35. j Li, RF Li, GC Wang J Phys Chem B 110 29 2006 14300
36. SK Desai, M Neurock, K Kourtakis J Phys Chem B 106 10 2002 2559
37. B Hammer, JK Nørskov AdvCatal 45 1 2000 71
38. B Hammer, Y Morikawa, JK Nørskov Phys Rev Lett 76 12 1996 2141
39. B Hammer, OH Nielsen, JK Nørskov Catal Lett 46 1-2 1997 31
40. B Hammer, JK Nørskov RM Lambert G Pacchioni Chemisorption and Reactivity on Supported Clusters and Thin Films 1997 Kluwer Acdemic Dordrecht 285
41. B Hammer, JK Nørskov Surf Sci 343 3 1995 211
42. M Mavrikakis, B Hammer, JK Nørskov Phys Rev Lett 81 13 1998 2819
43. CJ Zhang, P Hu J Am Chem Soc 123 6 2001 1166
44. YL Cao, ZX Chen Phys Chem Chem Phys 9 6 2007 739
45. ZP Liu, P Hu J Chem Phys 114 19 2001 8244
46. JJ Mortensen, B Hammer, JK Nørskov Surf Sci 414 3 1998 315
47. A Alavi, P Hu, T Deutsch, PL Silverstrelli, J Hutter Phys Rev Lett 80 16 1998 3650
48. K Bleakley, P Hu J Am Chem Soc 121 33 1999 7644
49. QL Tang, ZX Chen J Chem Phys 127 10 2007 104707