Density functional study of the effects of strains on the adsorption of methoxide and its decomposed intermediates on Cu(100) surface

Catalysis Letters

Volumn 127, Issue 1-2, 2009, Pages 113-118

  Foo, Agnes S Y ^a   Lim, Kok Hwa ^a  

^a Nanyang Technological University   (Singapore)

Author keywords

Adsorption; Cu(100); Decomposition; DFT; Methoxide

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; PROBABILITY DENSITY FUNCTION; SURFACE RELAXATION;

ADSORPTION ENERGIES; CU(100); DFT; EFFECTS OF STRAINS; METHOXIDE; PERIODIC DENSITIES; REACTION ENERGETICS; RELAXATION ENERGIES; SLAB MODELS;

COPPER;

EID: 57649220051     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-008-9653-8     Document Type: Article

References (36)

1. DL Trimm ZI Önsan 2001 Catal Rev 43 31
2. JD Holladay Y Wang E Jones 2004 Chem Rev 104 4767
3. MM Günter T Ressler RE Jentoft BJ Berns 2001 J Catal 203 133
4. Y Suwam S Ito S Kameoka K Tomishige K Kunimori 2004 Appl Catal A 267 9
5. N Iwasa N Takezawa 2003 Top Catal 22 215
6. KH Lim Z-X Chen KM Neyman N Rösch 2006 J Phys Chem B 110 14890
7. J-J Chen Z-C Jiang Y Zhou BR Chakraborty N Winograd 1995 Surf Sci 328 248
8. F Solymosi A Berko Z Toth 1993 Surf Sci 285 197
9. M Rebholz NJ Kruse 1991 Chem Phys 95 7745
10. N Kruse M Rebholz V Matolin GK Chuah JH Block 1991 Surf Sci 238 L457
11. Levis RJ, Jiang ZC, Winograd NJ (1988) J Am Chem Soc 110:4431;
12. Levis RJ, Jiang ZC, Winograd NJ J Am Chem Soc 111 (1989) 4605;
13. Z-X Chen KM Neyman KH Lim N Rösch 2004 Langmuir 20 8068
14. Z-X Chen KH Lim KM Neyman N Rösch 2004 Phys Chem Chem Phys 6 4499
15. Z-X Chen KH Lim KM Neyman N Rösch 2005 J Phys Chem B 109 4568
16. KH Lim LV Moskaleva N Rösch 2006 Chem Phys Chem 7 1802
17. KM Neyman KH Lim Z-X Chen LV Moskaleva A Bayer A Reindl D Borgmann R Denecke H-P Steinrück N Rösch 2007 Phys Chem Chem Phys 9 3470
18. S Sakong A Gross 2007 J Phys Chem A 111 8814
19. M Gsell P Jakob D Menzel 1998 Science 280 717
20. M Macrikakis B Hammer JK Norskov 1998 Phys Rev Lett 81 2819
21. L Grabow Y Xu M Mavrikakis 2006 Phys Chem Chem Phys 8 3369
22. JL Zhang MB Vukmirovic Y Xu M Mavrikakis RR Adzic 2005 Angew Chem Int Ed 44 2132
23. S Kandoi J Greeley MA Sanchez-Castillo ST Evans AA Gokhale JA Dumesic M Mavrikakis 2006 Top Catal 37 17
24. Somorjai GA (1994) Introduction to surface chemistry and catalysis. Wiley, New York
25. G Kresse J Furthmüller 1999 Comp Mat Sci 6 15
26. G Kresse J Furthmüller 1996 Phys Rev B 54 11169
27. G Kresse J Hafner 1996 Phys Rev B 47 104205
28. JP Perdew K Burke M Ernzerhof 1996 Phys Rev Lett 77 3865
29. G Kresse D Joubert 1999 Phys Rev B 59 1758
30. HJ Monkhorst JD Pack 1976 Phys Rev B 13 5188
31. Y Xu M Mavrikakis 2001 Surf Sci 494 131
32. J Wintterlin T Zambelli J Trost J Greeley M Mavrikakis 2003 Angew Chem Int Ed 42 2850
33. James AM, Lord MP (1992) Macmillan's chemical and physical data. Macmillan, London, UK
34. KH Lim KM Neyman N Rösch 2006 Chem Phys Lett 432 184
35. JRB Gomes JANF Gomes F Illas 2001 J Mol Catal A: Chem 170 187
36. K Amemiya Y Kitajima Y Yonamoto S Terada H Tsukabayashi T Yokoyama T Ohta 1999 Phys Rev B 59 2307