The effect of H on the electronic structure of an Fe(110)-Pd(100) interface

Surface Review and Letters

Volumn 10, Issue 6, 2003, Pages 879-888

  Jasen, Paula V ^a   Gonzalez, Estela A ^a   Nagel, Oscar A ^a   Juan, Alfredo ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Hydrogen; Iron; Palladium

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; ELECTRONIC DENSITY OF STATES; HYDROGEN; HYDROGEN BONDS; INTERFACES (MATERIALS); IONS; IRON; MECHANICAL PERMEABILITY; SURFACE STRUCTURE;

ELECTRON DELOCALIZATION;

ELECTRONIC STRUCTURE;

HYDROGEN; ION; IRON COMPLEX; PALLADIUM COMPLEX;

ARTICLE; BINDING AFFINITY; CHEMICAL MODIFICATION; COMPLEX FORMATION; CRYSTAL OVERLAP ORBITAL POPULATION; CRYSTAL STRUCTURE; DENSITY; ELECTRON DELOCALIZATION; ELECTRON TRANSPORT; ELECTRONICS; ENERGY; GAS PERMEABILITY; HYDROGEN BOND; ION TRANSPORT; MATHEMATICAL MODEL; METAL BINDING; MILLER INDEX SURFACE; MOLECULAR INTERACTION; MOLECULAR STABILITY; SEMIEMPIRICAL ATOM SUPERPOSITION; STRUCTURE ANALYSIS; SURFACE PROPERTY;

EID: 1542516142     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0218625X03005797     Document Type: Article

References (35)

1. S. M. Myers, M. I. Baskes, H. K. Birnbaum, J. W. Corbett, G. G. De Leo, S. K. Estreicher, E. E. Haller, P. Jena, N. M. Johnson, R. Kirchheim, S. J. Pearton and M. J. Stavola, Rev. Mod. Phys. 64, 559 (1992).
2. Y. Hayashi, W. M. Shu, T. Shiraishi and M. Masuda, J. Alloy Comp. 231, 291 (1995).
3. J. A. Rodriguez, Surf. Sci. Rep. 24, 223 (1996).
4. J. Goniaskowski and C. Nogiera, Phys. Rev. B60, 120 (1999).
5. E. Lundgren, M. Qvarford, R. Nyholm, J. N. Andersen and D. Heskett, Phys. Rev. B50, 4711 (1994).
6. G. Lee, J. S. Kim, Y. M. Koo and S. E. Kulkova, Int. J. Hydrogen Energy 27, 403 (2002).
7. B. Hammer and M. Scheffer, Phys. Rev. Lett. 74, 3487 (1995).
8. G. Bihlmayer, R. Eibler and R. Podloucky, Surf. Sci. 402-404, 794 (1998).
9. G. Bihlmayer, R. Eibler and R. Podloucky, Surf. Sci. 446, 188 (2000).
10. A. Y. Lozovoi, A. Alavi and M. Finnis, Phys. Rev. Lett. 85, 610 (2000).
11. S. Ostamin, V. M. Uzdin, C. Demangeat, J. M. Wills, M. Alouani and H. Dreyssett, Phys. Rev. B61, 4870 (2000).
12. M. Yu. Koroteev, A. G. Lipnitskii, E. V. Chulkov and I. I. Naumov, Phys. Low-Dim. Struct. 9/10, 85 (1998).
13. G. Canto and R. de Coos, Surf. Sci. 465, 59 (2000).
14. G. Lee, J. S. Kim, Y. M. Koo, S. E. Kulkova and D. V. Valvjsky, Phys. Low-Dim. Struct. 5/6, 19 (2001).
15. S. M. Mayers, P. M. Richards and W. R. Wampler, J. Nucl. Mater. 165, 9 (1989).
16. W. A. Swansiger and R. Bastaz, J. Nucl. Mater. 85-86, 335 (1979).
17. F. Waelbroeck, K. J. Dietz, P. Wienhold, J. Winter, I. Ali-Khan, H. Merkens and E. Rota, J. Nucl. Mater. 93-94, 839 (1980).
18. Y. Hayashi, A. Tahara and M. Ishibashi, Hydrogen Effects on Material Behavior eds N. R. Moody and A. W. Thompson (The Mineral, Metal and Material Society, Warrendale, PA, 1990), pp. 11-17.
19. M. B. Lopez, G. L. Estiú, E. A. Castro and A. J. Arvia, Surf. Sci. 277, 184 (1992).
20. N. J. Castellani, P. Légaré, C. Demangeat, P. Mikušík and Š. Pick, Surf. Sci. 307-309, 927 (1994).
21. P. Légaré, N. J. Castellani and G. F. Cabeza, Surf. Sci. 496, L51-L54 (2002).
22. R. Griessen, Phys. Rev. B38, 3690 (1988).
23. Handbook of Chemistry and Physics, ed. R. Weast (CRC, Boca Raton, Fl., 2000).
24. D. A. Papaconstantopoulus, Handbook of Band Structure of Elemental Solids (Plenum, New York, 1986).
25. W. Moritz, R. Imbihl, R. J. Behm, G. Ertl and T. Matsushima, J. Chem. Phys. 83, 1959 (1985).
26. B. Irigoyen, R. Ferullo, N. Castellani and A. Juan, Modell. Simul. Mater. Sci. Eng. 3, 319 (1995).
27. Y. Fukai, The Metal-Hydrogen System: Basic Bulk Properties (Springer-Verlag, Berlin, 1993).
28. A. Juan and R. Hoffmann, Surf. Sci. 421, 1 (1999).
29. J. F. Paul and P. Sautet, Phys. Rev. B53, 8015 (1996).
30. G. Hertzberg, Spectra of Diatomic Molecules, 2nd edition (Van Nostrand, Princeton, NJ, 1950).
31. K. Nath and A. B. Anderson, Phys. Rev. B39, 1013 (1989).
32. A. Vela and G. L. Gázquez, J. Chem. Phys. 92, 5668 (1988).
33. M. Basch and H. B. Gray, Theor. Chim. Acta 4, 367 (1966).
34. A. B. Anderson, J. Chem. Phys. 62, 1187 (1975).
35. G. A. Landrum and W. V. Glassey; the YAeHMOP extended Hückel molecular orbital package is freely available on the WWW at http://sourceforge.net/projects/yaehmop/.