Density functional theory study of methane activation over PdO/HZSM-5

Journal of Molecular Catalysis A: Chemical

Volumn 247, Issue 1-2, 2006, Pages 199-205

  Wang, Jian Guo ^a   Liu, Chang Jun ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

Density functional theory; Methane activation; Methane combustion; PdO HZSM 5

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; MATHEMATICAL MODELS; METHANE; PROBABILITY DENSITY FUNCTION; ZEOLITES;

METHANE ACTIVATION; METHANE COMBUSTION; PDO/HZSM-5;

PALLADIUM COMPOUNDS;

EID: 33644594068     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2005.11.054     Document Type: Article

References (37)

1. N.K. Labhsetwar, A. Watanabe, T. Mitsubashi, and H. Haneda J. Mol. Catal. A 223 2004 217
2. C.-J. Liu, K. Yu, Y.-P. Zhang, X. Zhu, F. He, and B. Eliasson Appl. Catal. B 47 2004 95
3. L.F. Liotta, and G. Deganello J. Mol. Catal. A 204 2003 763
4. K. Persson, A. Ersson, K. Jansson, N. Iverlund, and S. Jaras J. Catal. 231 2005 139
5. P. Gélin, and M. Primet Appl. Catal. B 39 2002 1
6. K. Okumura, S. Masumoto, N. Nishiaki, and M. Niwa Appl. Catal. B 40 2003 151
7. B.H. Yue, R.X. Zhou, Y.J. Wang, and X.M. Zheng J. Mol. Catal. A 238 2005 241
8. D. Ciuparu, and L. Pfefferle Catal. Today 77 2002 167
9. D. Ciuparu, E. Altman, and L. Pfefferle J. Catal. 203 2001 64
10. R. Burch, D.J. Crittle, and M.J. Hayes Catal. Today 47 1999 229
11. K.-I. Fujimoto, F.H. Ribeiro, M. Avalos-Borja, and E. Iglesia J. Catal. 179 1998 431
12. C.J. Zhang, and P. Hu J. Chem. Phys. 116 2002 4281
13. K. Okumura, J. Amano, N. Yasunobu, and M. Niwa J. Phys. Chem. B 104 2000 1050
14. K. Okumura, J. Amano, and M. Niwa Chem. Lett. 997 1999
15. K. Okumura, and W. Niwa J. Phys. Chem. B 104 2000 9670
16. L.J. Lobree, A.W. Aylor, J.A. Reimer, and A.T. Bell J. Catal. 181 1999 189
17. A.W. Aylor, L.J. Lobree, J.A. Reimer, and A.T. Bell J. Catal. 172 1997 453
18. J.-G. Wang, C.-J. Liu, Z. Fang, Y. Liu, and Z. Han J. Phys. Chem. B 108 2004 1653
19. C.J. Zhang, and P. Hu J. Chem. Phys. 116 2002 322
20. H.L. Abbott, A. Bukoski, D.F. Kavulak, and I. Harrison J. Chem. Phys. 119 2003 6407
21. P. Kratzer, B. Hammer, and J.K. Nørskov J. Chem. Phys. 105 1996 5595
22. Y. Akinaga, T. Taketsugu, and K. Hirao J. Chem. Phys. 109 1998 11010
23. E. Broclawik, J. Haber, A. Endou, A. Stirling, R. Yamauchi, M. Kubo, and A. Miyamoto J. Mol. Catal. A 119 1997 35
24. E. Broclawik, R. Yamauchi, A. Endou, M. Kubo, and A. Miyamoto J. Chem. Phys. 104 1996 4098
25. G. Tonetto, M.L. Ferreira, and D.E. Damiani J. Mol. Catal. A: Chem. 171 2001 123
26. D.-Y. Hwang, and A. Mebel J. Phys. Chem. A 106 2002 12072
27. D. Kaucký, A. Vondrová, J. Dědeček, and B. Wichterlová J. Catal. 194 2000 318
28. B. Wichterlová, Z. Sobalík, and J. Dědeček Appl. Catal. B 41 2003 97
29. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
30. J.P. Perdew, and Y. Wang Phys. Rev. B 33 1986 8800
31. T.A. Halgren, and W.N. Lipscomb Chem. Phys. Lett. 49 1977 225
32. R.S. Mulliken J. Chem. Phys. 23 1955 1833
33. M. Lyubovsky, and L. Pfefferle Appl. Catal. A 173 1998 107
34. F.H. Riberiro, M. Chow, and R.A. Dalla Betta J. Catal. 146 1994 537
35. C.F. Cullis, D.E. Keene, and D.L. Trimm J. Chem. Soc., Faraday Trans. 67 1971 864
36. C.F. Cullis, D.E. Keene, and D.L. Trimm J. Catal. 19 1970 378
37. T.R. Baldwin, and R. Burch Appl. Catal. A 66 1990 337