Catalytic activity of Pd ensembles incorporated into Au nanocluster for CO oxidation: A first-principles study

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 375, Issue 24, 2011, Pages 2405-2410

  Yuan, D W ^a   Liu, Z R ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Catalytic reaction; CO oxidation; First principles calculation; Gold cluster; Pd ensembles

Indexed keywords

ASSOCIATION REACTIONS; CALCULATIONS; CARBON DIOXIDE; CATALYSIS; CATALYTIC OXIDATION; DIMERS; GOLD; GOLD NANOCLUSTERS; NANOCLUSTERS; PALLADIUM; REACTION INTERMEDIATES;

CATALYTIC REACTIONS; CO OXIDATION; ELEY-RIDEAL MECHANISM; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GOLD CLUSTERS; INTERMEDIATE STATE; LANGMUIR-HINSHELWOOD;

CATALYST ACTIVITY;

EID: 79957483453     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2011.05.005     Document Type: Article

References (44)

1. M.S. Chen, D. Kumar, C.W. Yi, and D.W. Goodman Science 310 2005 291
2. F. Gao, Y.L. Wang, and D.W. Goodman J. Am. Chem. Soc. 131 2009 5734
3. J. Xu, T. White, P. Li, C.H. He, J.G. Yu, W.K. Yuan, and Y.F. Han J. Am. Chem. Soc. 132 2010 10398
4. D.I. Enache, J.K. Edwards, P. Landon, B. Solsona-Espriu, A.F. Carley, A.A. Herzing, M. Watanabe, C.J. Kiely, D.W. Knight, and G.J. Hutchings Science 311 2006 362
5. J.K. Edwards, B.E. Solsona, P. Landon, A.F. Carley, A. Herzing, C.J. Kiely, and G.J. Hutchings J. Catal. 236 2005 69
6. J.A. Rodriguez, and D.W. Goodman Science 257 1992 897
7. J.R. Kitchin, J.K. Nørskov, M.A. Barteau, and J.G. Chen Phys. Rev. Lett. 93 2004 156801
8. J.A. Rodriguez Surf. Sci. Rep. 24 1996 225
9. F. Maroun, F. Ozanam, O.M. Magnussen, and R.J. Behm Science 293 2001 1811
10. D.W. Yuan, X.G. Gong, and R.Q. Wu Phys. Rev. B 75 2007 233401
11. F. Gao, Y.L. Wang, and D.W. Goodman J. Phys. Chem. C 113 2009 14993
12. F. Gao, Y.L. Wang, and D.W. Goodman J. Phys. Chem. C 114 2010 4036
13. H.L. Tierney, A.E. Baber, J.R. Kichin, and E.C.H. Sykes Phys. Rev. Lett. 103 2009 246102
14. C.W. Yi, K. Luo, T. Wei, and D.W. Goodman J. Phys. Chem. B 109 2005 18535
15. K. Luo, T. Wei, C.W. Yi, S. Axnanda, and D.W. Goodman J. Phys. Chem. B 109 2005 23517
16. D.W. Yuan, X.G. Gong, and R.Q. Wu Phys. Rev. B 75 2007 085428
17. D.W. Yuan, X.G. Gong, and R.Q. Wu J. Phys. Chem. C 112 2008 1539
18. M. García-Mota, and N. López Phys. Rev. B 82 2010 075411
19. D.W. Yuan, Z.R. Liu, and J.H. Chen J. Chem. Phys. 134 2011 054704
20. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
21. G. Kresse, and J. Furthmuller Comp. Mat. Sci. 6 1996 15
22. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
23. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
24. G. Schenter, G. Mills, and H. Jónsson J. Chem. Phys. 101 1994 8964
25. G. Mills, H. Jónsson, and G. Schenter Surf. Sci. 324 1995 305
26. G. Henkelman, and H. Jónsson J. Chem. Phys. 113 2000 9978
27. G. Henkelman, B.P. Uberuaga, and H. Jónsson J. Chem. Phys. 113 2000 9901
28. G. Henkelmana, and H. Jónsson J. Chem. Phys. 111 1999 7010
29. K. Honkala, and K. Laasonen J. Chem. Phys. 115 2001 2297
30. B. Yoon, H. Häkkinen, and U. Landman J. Phys. Chem. A 107 2003 4066
31. A. Eichler, F. Mittendorfer, and J. Hafner Phys. Rev. B 62 2000 4744
32. D.W. Yuan, X.G. Gong, and R.Q. Wu Phys. Rev. B 78 2008 035441
33. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput. Mater. Sci. 36 2006 254
34. W. Tang, E. Sanville, and G. Henkelman J. Phys.: Condens. Matter 21 2009 084204
35. H.C. Ham, G.S. Hwang, J. Han, S.W. Nam, and T.H. Lim J. Phys. Chem. C 113 2009 12943
36. N. Lopez, and J.K. Nørskov J. Am. Chem. Soc. 124 2002 11262
37. Z.P. Liu, P. Hu, and A. Alavi J. Am. Chem. Soc. 124 2002 14770
38. H.Y. Kim, S.S. Han, J.H. Ryu, and H.M. Lee J. Phys. Chem. C 114 2010 3156
39. T.M. Bernhardt, U. Heiz, and U. Landman U. Heiz, U. Landman, Nanocatalysis 2006 Springer 113
40. G. Mpourmpakis, A.N. Andriotis, and D.G. Vlachos Nano Lett. 10 2010 1041
41. W.E. Kaden, W.A. Kunkel, M.D. Kane, F.S. Roberts, and S.L. Anderson J. Am. Chem. Soc. 132 2010 13097
42. J. Zhang, M. Jin, M.B. Sullivan, F. Chiang, H. Lim, and P. Wu Phys. Chem. Chem. Phys. 11 2009 1441
43. H. Falsig, B. Hvolbaek, I.S. Kristensen, T. Jiang, T. Bligaard, C.H. Christensen, and J.K. Nørskov Angew. Chem. Int. Ed. 47 2008 4835
44. I.V. Yudanov, and K.M. Neyman Phys. Chem. Chem. Phys. 12 2010 5094