The adsorption of 1,3-butadiene on Pd/Ni multilayers: The interplay between spin polarization and chemisorption strength

Journal of Solid State Chemistry

Volumn 183, Issue 12, 2010, Pages 3086-3092

  Gómez, Guillermina ^a   Belelli, Patricia G ^b   Cabeza, Gabriela F ^b   Castellani, Norberto J ^b  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b CONICET ^*  (Argentina)

Author keywords

1,3 butadiene adsorption; DFT; Electronic structure; Magnetism; Pd Ni multilayers

Indexed keywords

1,3-BUTADIENE ADSORPTION; 1-BUTENE; ADSORPTION ENERGIES; ADSORPTION STRUCTURES; DFT; PD ATOMS; PD(1 1 1); PD/NI MULTILAYERS; SPIN-POLARIZED; STABLE ADSORPTION; SUBSTRATE COMPOSITION;

BUTADIENE; BUTENES; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MAGNETIZATION; MULTILAYERS; PALLADIUM; SPIN DYNAMICS; SPIN POLARIZATION;

ADSORPTION;

EID: 78649869176     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2010.10.022     Document Type: Article

References (55)

1. G.C. Bond Metal-Catalyzed Reactions of Hydrocarbons 2005 Springer New York
2. B. Chen, U. Dingerdissen, J.G.E. Krauter, H.G.J. Lansink Rotgerink, K. Mbus, D.J. Ostgard, P. Panster, T.H. Riermeier, S. Seebald, T. Tacke, and H. Trauthwein Appl. Catal. A 280 2005 17
3. A.J. Wright, A.L. Mihele, and L.L. Diosady Food Res. Int. 36 2003 797
4. A.J. Wright, A. Wong, and L.L. Diosady Food Res. Int. 36 2003 1069
5. Sarkany, Z. Zsoldos, B. Furlong, J.W. Hightower, and L. Guczi J. Catal. 141 1993 566
6. Sarkany, Z. Zsoldos, Gy. Stefler, J.W. Hightower, and L. Guczi J. Catal. 157 1995 179
7. P. Hermann, B. Tardy, D. Simon, J.M. Guigner, B. Bigot, and J.C. Bertolini Surf. Sci. 307309 1994 422
8. T. Ouchaib, J. Massadier, and A. Renouprez J. Catal. 119 1989 517
9. Z. Dobrovoln, P. KaČer, and L. Červen J. Molec. Catal. A: Chemical 3 1998 279
10. G. Tourillon, A. Cassuto, Y. Jugnet, J. Massadier, and J.C. Bertolini J. Chem. Soc. Faraday Trans. 92 1996 4835
11. C. Yoon, M.X. Yang, and G.A. Somorjai Catal. Lett. 46 1997 37
12. J.C. Bertolini, A. Cassuto, Y. Jugnet, J. Massardier, B. Tardy, and G. Tourillon Surf. Sci. 349 1996 88
13. F. Mittendorfer, C. Thomazeau, P. Raybaud, and H. Toulhoat J. Phys. Chem. B 107 2003 12287
14. A. Valcrcel, A. Clotet, J.M. Ricart, F. Delbecq, and P. Sautet Surf. Sci. 549 2004 121
15. J. Silvestre-Albero, G. Rupprechter, and H.-J. Freund Chem. Commun. 2006 80
16. J. Silvestre-Albero, G. Rupprechter, and H.-J. Freund J. Catal. 240 2006 58
17. L. Piccolo, A. Valcarcel, M. Bausach, C. Thomazeau, D. Uzio, and G. Berhault Phys. Chem. Chem. Phys. 10 2008 5504
18. L. Piccolo, A. Piednoir, and J.C. Bertolini Surf. Sci. 592 2005 169
19. P. Miegge, J.L. Rousset, B. Tardy, J. Massardier, and J.C. Bertolini J. Catal. 149 1994 404
20. A.C. Michel, L. Lianos, J.L. Rousset, P. Delichre, N.S. Prakash, J. Massardier, Y. Jugnet, and J.C. Bertolini Surf. Sci. 416 1998 288
21. P. Hermann, J.M. Guigner, B. Tardy, Y. Jugnet, D. Simon, and J.C. Bertolini J. Catal. 163 1996 169
22. M. Abel, Y. Robach, J.C. Bertolini, and L. Porte Surf. Sci. 454456 2000 1
23. M.C. Saint-Lager, Y. Jugnet, P. Dolle, L. Piccolo, R. Baudoing-Savois, J.C. Bertolini, A. Bailly, O. Robach, C. Walker, and S. Ferrer Surf. Sci. 587 2005 229
24. M.F. Carazzolle, S.S. Maluf, A. de Siervo, P.A.P. Nascente, R. Landers, and G.G. Kleiman Surf. Sci. 600 2006 2268
25. P.A.P. Nascente, M.F. Carazzolle, A. de Siervo, S.S. Maluf, R. Landers, and G.G. Kleiman J. Mol. Catal. A 281 2008 3
26. P. Hermann, D. Simon, P. Sautet, and B. Bigot J. Catal. 167 1997 33
27. J.-S. Filhol, D. Simon, and P. Sautet J. Am. Chem. Soc. 126 2004 3228
28. Y.S. Shi, M.F. Wang, D. Qian, G.S. Dong, X.F. Jin, and Ding-Sheng Wang J. Magn. Magn. Mater. 277 2004 71
29. Z.B. Tang, C.S. Tian, L.F. Yin, G.S. Dong, and Xiaofeng Jin J. Magn. Magn. Mater. 310 2007 1804
30. A. Valcarcel, D. Loffreda, F. Delbecq, and L. Piccolo Phys. Rev. B 76 2007 125406
31. G. Gmez, G.F. Cabeza, and P.G. Belelli J. Magn. Magn. Mater. 321 2009 3478
32. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
33. G. Kresse, and J. Hafner Phys. Rev. B 48 1993 13115
34. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
35. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
36. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 48 1993 4978
37. P. Blochl Phys. Rev. B 50 1994 17953
38. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
39. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
40. M. Methfessel, and A.T. Paxton Phys. Rev. B 40 1989 3616
41. P.C. Rusu, and G. Brocks Phys. Rev. B 74 2006 073414
42. Q. Ge, S.J. Jenkins, and D.A. King Chem. Phys. Lett. 327 2000 125
43. M.B. Knickelbein J. Chem. Phys. 115 2001 1983
44. A. Hammoudeh, J. Loboda-Cackovic, M.S. Mousa, and J.H. Block Vacuum 48 1997 187
45. P.G. Belelli, R.M. Ferullo, and N.J. Castellani Surf. Sci. 604 2010 386 395
46. L.J. Shorthouse, Y. Jugnet, and J.C. Bertolini Catal. Today 70 2001 33
47. J.C. Bertolini Appl. Catal. A 191 2000 15
48. J.-S. Filhol, D. Simon, and P. Sautet Phys. Rev. B 64 2001 085412
49. J.-S. Filhol, D. Simon, and P. Sautet Surf. Sci. 472 2001 L139
50. A. Valcarcel, F. Morfin, and L. Piccolo J. Catal. 263 2009 315
51. J. Quinn, Y.S. Li, D. Tian, H. Li, F. Jona, and P.M. Marcus Phys. Rev. B 42 1990 11348
52. J. Burchhardt, E. Lundgren, M.M. Nielsen, J.N. Andersen, and D.L. Adams Surf. Rev. Lett. 3 1996 1339
53. S.H. Kim, H.L. Meyerheim, J. Barthel, J. Kirschner, J. Seo, and J.-S. Kim Phys. Rev. B 71 2005 205418
54. B. Baranowski, and S.M. Filipek J. Alloys Compd. 404 2005 2 and references therein
55. H.H. Hwu, J. Eng Jr., and J.G. Chen J. Am. Chem. Soc. 124 2002 702