Steam reforming of formaldehyde on Cu(100) surface: A density functional study

Catalysis Letters

Volumn 129, Issue 3-4, 2009, Pages 444-448

  Bo, Ju Yi ^a   Zhang, Shurui ^a   Lim, Kok Hwa ^a  

^a Nanyang Technological University   (Singapore)

Author keywords

Cu; DFT; Formaldehyde; Steam reforming

Indexed keywords

ADSORPTION; CARBON MONOXIDE; DENSITY FUNCTIONAL THEORY; FORMALDEHYDE; PROBABILITY DENSITY FUNCTION; STEAM; STEAM ENGINEERING;

A DENSITIES; ADSORPTION COMPLEXES; CU; CU(1 0 0); DFT; PERIODIC DFT; REACTION INTERMEDIATES; REACTION PATHS; STEAM REFORMING;

SURFACE REACTIONS;

EID: 62949247408     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-008-9821-x     Document Type: Article

References (38)

1. DK Ross 2006 Vacuum 80 1084
2. JD Holladay Y Wang E Jones 2004 Chem Revs 104 4767
3. S Ha R Larsen RI Masel 2005 J Power Sources 144 28
4. Z-X Chen KM Neyman KH Lim N Roesch 2004 Langmuir 20 8068
5. KM Neyman KH Lim Z-X Chen LV Moskaleva A Bayer A Reindl D Borgmann R Denecke HP Steinrück N Rösch 2007 Phys Chem Chem Phys 9 3470
6. DL Trimm ZI Önsan 2001 Catal Rev 43 31
7. ASY Foo KH Lim 2008 Catal Lett 10.1007/s10562-008-9653-8
8. KH Lim LV Moskaleva N Rösch 2006 Chem Phys Chem 7 1802
9. KH Lim Z-X Chen KM Neyman N Rösch 2006 J Phys Chem B 110 14890
10. N Iwasa N Takezawa 2003 Top Catal 22 215
11. G Kresse J Furthmüller 1996 Phys Rev B 54 11169
12. G Kresse J Hafner 1996 Phys Rev B 47 104205
13. G Kresse J Furthmüller 1999 Comp Mat Sci 6 15
14. JP Perdew K Burke M Ernzerhof 1996 Phys Rev Lett 77 3865
15. PE Blöchl 1994 Phys Rev B 50 17953
16. G Kresse D Joubert 1999 Phys Rev B 59 1758
17. HJ Monkhorst JD Pack 1976 Phys Rev B 13 5188
18. M Methfessel AT Paxton 1989 Phys Rev B 40 3616
19. Somorjai GA (1994) Introduction to surface chemistry and catalysis. Wiley, New York
20. JRB Gomes JANF Gomes 2001 Surf Sci 471 59
21. Y Chao Z-X Chen 2006 Surf Sci 600 4572
22. LGM Pettersson H Agren O Vahtras V Carravetta 1995 J Chem Phys 103 8713
23. JRB Gomes JANF Gomes F Illas 1999 Surf. Sci. 443 165
24. PB Rasmussen PA Taylor I Chorkendorff 1992 Surf. Sci. 269-270 352
25. J Krause D Borgmann G Wedler 1996 Surf. Sci 347 1
26. CMY Yue KH Lim 2008 Catal Lett 10.1007/s10562-008-9741-9
27. JRB Gomes JANF Gomes 1999 Surf. Sci. 432 279
28. DP Woodruff 1988 Surf Sci 201 275
29. J Stohr DA Outka RJ Madix U Dobler 1985 Phys Rev Letts 54 1256
30. D Outka RJ Madix J Stohr 1985 Surf Sci 164 235
31. JRB Gomes JANF Gomes 2000 Surf Sci 446 283
32. JRB Gomes JANF Gomes 1999 Electrochemica Acta 45 653
33. DHS Ying RJ Madix 1980 J Catal 61 48
34. M Bowker E Rowbotham FM Leibsle S Haq 1996 Surf Sci 349 97
35. M Bowker RJ Madix 1981 Surf Sci 102 542
36. DB Clarke DK Lee MJ Sandoval AT Bell 1994 J Catal 150 81
37. IE Wachs RJ Madix 1979 Surf Sci 84 375
38. MA Barteau M Bowker MJ Madix 1980 Surf Sci 94 303