Surface segregation in palladium based alloys from density-functional calculations

Surface Science

Volumn 583, Issue 1, 2005, Pages 100-106

  Lovvik O M ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

Alloys; Density functional calculations; Palladium; Surface segregation

Indexed keywords

BAND STRUCTURE; CATALYSIS; HYDROGEN; PALLADIUM ALLOYS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

DENSITY FUNCTIONAL CALCULATIONS; HYDROGEN PERMEABILITY; SEGREGATION ENERGY; SURFACE SEGREGATION;

SURFACE PHENOMENA;

EID: 18544383156     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2005.03.028     Document Type: Article

References (39)

1. G.A. Somorjai Introduction to surface chemistry and catalysis 1994 Wiley and Sons New York
2. J.H. Sinfelt Bimetallic catalysts: discoveries, concepts and application 1983 Wiley and Sons New York
3. F.B.I. Chorkendorff, S.B. Clausen, B. Hammer, A.M. Molebroek, J. Nørskov, and I. Stensgaard Science 279 1998 1913
4. P. Liu, and J.K. Nørskov Phys. Chem. Chem. Phys. 3 2001 3814
5. S. Uemiya Sep. Purif. Meth. 28 1999 51
6. R. Bredesen, K. Jordal, and O. Bolland Chem. Eng. Proc. 43 2004 1129
7. S.N. Paglieri, and J.D. Way Sep. Purif. Meth. 31 2002 1
8. P.T. Wouda, M. Schmid, B.E. Nieuwenhuys, and P. Varga Surf. Sci. 417 1998 292
9. J. Kuntze, S. Speller, W. Heiland, P. Deurinck, C. Creemers, A. Atrei, and U. Bardi Phys. Rev. B 60 1999 9010
10. Z. Kaszkur Phys. Chem. Chem. Phys. 6 2004 193
11. S. Lambert, B. Heinrichs, A. Brasseur, A. Rulmont, and J.P. Pirard Appl. Catal. A-General 270 2004 201
12. J.C. Bertolini, J.L. Rousset, P. Miegge, J. Massardier, B. Tardy, Y. Samson, B.C. Khanra, and C. Creemers Surf. Sci. 281 1993 102
13. C. Creemers Surf. Sci. 360 1996 10
14. J.C. Bertolini, P. Miegge, P. Hermann, J.L. Rousset, and B. Tardy Surf. Sci. 331-333 1995 651
15. G.N. Derry, C.B. McVey, and P.J. Rous Surf. Sci. 326 1995 59
16. A.C. Michel, L. Lianos, J.L. Rousset, P. Delichere, N.S. Prakash, J. Massardier, Y. Jugnet, and J. Bertolini Surf. Sci. 416 1998 288
17. S. Helfensteyn, J. Luyten, L. Feyaerts, and C. Creemers Appl. Surf. Sci. 212 2003 844
18. G.N. Derry, and R. Wan Surf. Sci. 566 2004 862
19. D. Radosavkic, N. Barrett, R. Belkhou, N. Marsot, and C. Guillot Surf. Sci. 516 2002 56
20. A.M. Venezia Catal. Today 77 2003 359
21. M.A. Newton, L. Jyoti, A.J. Dent, S. Diaz-Moreno, S.G. Fiddy, and J. Evans ChemPhysChem 5 2004 1056
22. I.G. Batirev, A.N. Karavanov, J.A. Leiro, M. Heinonen, and J. Juhanoja Surf. Interf. Anal. 23 1995 50
23. Y. Gauthier, R. Baudoing, and J. Jupille Phys. Rev. B 40 1989 1500
24. Y. Gauthier, R. Baudoingsavois, J.J.W.M. Rosink, and M. Sotto Surf. Sci. 297 1993 193
25. C. Creemers, P. Deurinck, S. Helfensteyn, and J. Luyten Appl. Surf. Sci. 219 2003 11
26. G. Bozzolo, J.E. Garces, R.D. Noebe, P. Abel, and H.O. Mosca Progr. Surf. Sci. 73 2003 79
27. C. Massen, T.V. Mortimer-Jones, and R.L. Johnston J. Chem. Soc.-Dalton Trans. 23 2002 4375
28. L.D. Lloyd, R.L. Johnston, S. Salhi, and N.T. Wilson J. Mater. Chem. 14 2004 1691
29. A. Saul, and M. Weissmann Phys. Rev. B 60 1999 4982
30. O.M. Løvvik, and R.A. Olsen J. Chem. Phys. 118 2003 3268
31. W. Olovsson, E. Holmstrom, A. Sandell, and I.A. Abrikosov Phys. Rev. B 68 2003 045411
32. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
33. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
34. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
35. P. Blöchl Phys. Rev. B 50 1994 17953
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 46 1992 6671
37. L. Yang Phil. Mag. A 80 2000 1879
38. F.R. de Boer Cohesion in metals: transition metal alloys 1988 North-Holland Amsterdam
39. P. Miegge, J. Rousset, B. Tardy, J. Massardier, and J. Bertolini J. Catal. 149 1994 404