Quantum-chemical study of electrochemical promotion in catalysis

Journal of Physical Chemistry

Volumn 100, Issue 41, 1996, Pages 16653-16661

  Pacchioni, Gianfranco ^a   Illas, Francesc ^b   Neophytides, Stelios ^c   Vayenas, Constantinos G ^c  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF BARCELONA   (Spain)

^c UNIVERSITY OF PATRAS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001578110     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9612386     Document Type: Article

References (36)

1. Vayenas, C. G.; Bebelis; S. Neophytides, S. J. Phys. Chem. 1988, 92, 5083.
2. Babelis, S.; Vayenas, C. G. J. Catal. 1989, 118, 125.
3. Vayenas, C. G.; Bebelis, S.; Ladas, S. Nature (London) 1990, 343, 625.
4. Cavalca, C. A.; Larsen, G.; Vayenas, C. G.; Haller, G. L. J. Phys. Chem. 1993, 97, 6115.
5. Vayenas, C. G.; Bebelis, S.; Yentekakis, I. V.; Lintz, H. G. Catal. Today 1992, 11 (3), 303.
6. Vayenas, C. G.; Jaksic, M. M.; Bebelis, S.; Neophytids, S. In Modern Aspects of Electrochemistry; Bockris, J. O. M., Conway, B. E., White, R. E., Eds.; Plenum Press: New York 1995; Vol. 29, p 57.
7. Pritchard, J. Nature (London) 1990, 343, 592.
8. Grzybowska-Swierkosz, B.; Haber, J. In Annual Reports on the Progress of Chemistry; The Royal Society of Chemistry; London 1994; Vol. 91, p 395.
9. Bockris, J. O. M.; Minevski, Z. Electrochim. Acta 1994, 39, 1471.
10. Neophytides, S. G.; Vayenas, C. G. Ionics 1995, 1, 80.
11. Neophytides, S. G.; Vayenas, C. G. J. Phys. Chem. 1995, 99, 17063.
12. Pacchioni, G.; Bagus, P. S. Phys. Rev. B 1989, 40, 6003.
13. Pacchioni, G.; Bagus, P. S. Chem. Phys. 1993, 177, 373.
14. Falconer, J. L.; Madix, R. J. Surf. Sci. 1975, 48, 393.
15. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299.
16. Bagus, P. S.; Bauschlicher, C. W.; Nelin, C. J.; Laskovsky, B. B.; Seel, M. J. Chem. Phys. 1984, 81, 3594.
17. van Duijneveldt, F. B. IBM Research Report N. RJ 945; IBM Corporation, 1971.
18. Huzinaga, S., Ed. Gaussian Basis Sets for Molecular Calculations; Physical Science Data, Vol. 16; Elsevier. Amsterdam 1984.
19. Koopmans, T. A. Physica 1933, 1, 104.
20. Kreuzer, H. J. In Surface Science and Catalysis. In Situ Probes and Reaction Kinetics; Dwyer, D. J., Hoffmann, F. M., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC, 1992; Vol. 482, p 269.
21. Durand, P.; Barthelat, J. C. Theor. Chim. Acta 1975, 38, 283.
22. Pelissier, M.; Durand, P. Theor. Chim. Acta 1980, 55, 43.
23. Barthelat, J. C.; Pelissier, M.; Durand, P. Phys. Rev. A 1981, 21, 1773.
24. Illas, F.; Màrquez, A.; Zurita, S.; Rubio, J. Phys. Rev. B 1995, 52, 12372.
25. Zurita, S.; Illas, F.; Barthelat, J. C.; Rubio, J. To be published.
26. Rubio, J.; Zurita, S.; Barthelat, J. C.; Illas, F. Chem. Phys. Lett. 1994, 217, 283.
27. Ricart, J. M.; Clotet, A.; Illas, F.; Rubio, J. J. Chem. Phys. 1994, 100, 1988.
28. Clotet, A.; Ricart, J. M.; Rubio, J.; Illas, F. Chem. Phys. 1993, 177, 61.
29. Bagus, P. S.; Pacchioni, G.; Philpott, M. R. J. Chem. Phys. 1989, 90, 4287.
30. Illas, F.; Rubio, J.; Ricart, J. M.; Pacchioni, G. J. Chem. Phys., in press.
31. Dupuis, M.; Johnston, F.; Marquez, A. HONDO 8.5 for CHEM-Station; IBM Corporation: Kingston, NY, 1994.
32. Dupuis, M.; Rys., J.; King, H. F. HONDO-76, Program 338. QCPE (University of Indiana, Bloomington, IN). Pseudopotential adaptation by Daudey, J. P. and Pelissier, M. General ROHF adaptation by Caballol, R. and Daudey, J. P. CSOV implementation by Rubio, J. and Illas, F.
33. Illas, F.; Bagus, P. S. Phys. Rev. B 1990, 42, 10852.
34. Torras, J.; Ricart, J. M.; Illas, F.; Rubio, J. Surf. Sci. 1993, 297, 57.
35. Bagus, P. S.; Pacchioni, G. J. Chem. Phys. 1995, 102, 879.
36. Yentekakis, I. V.; Moggridge, G.; Vayenas, C. G.; Lambert, R. L. J. Catal. 1994, 146, 292.