Interactions of alkali ions with the Au(100) surface in the DFT cluster model approach

Journal of Electroanalytical Chemistry

Volumn 480, Issue 1-2, 2000, Pages 209-218

  Ignaczak, Anna ^a  

^a UNIVERSITY OF LODZ   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CESIUM; CHARGE TRANSFER; ELECTRONS; GOLD; LITHIUM; MATHEMATICAL MODELS; POSITIVE IONS; POTASSIUM; PROBABILITY DENSITY FUNCTION; RUBIDIUM; SODIUM; SURFACE STRUCTURE;

ALKALI ION; ELECTRON TRANSFER;

ADSORPTION;

EID: 0033887293     PISSN: 00220728     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-0728(99)00462-3     Document Type: Article

References (43)

1. Leban M.A., Hubbard A.T. J. Electroanal. Chem. 74:1976;253.
2. Döhnert D., Koutecky J., Shultze J.W. J. Electroanal. Chem. 82:1977;81.
3. Illas F., Sanz F., Virgili J. J. Electroanal. Chem. 142:1982;31.
4. Weissmann M., Cohan N.V. J. Electroanal. Chem. 146:1983;171.
5. Jauregui M., Cohan N.V., Weissmann M. J. Electroanal. Chem. 163:1984;381.
6. Kuznetsov An., Reinhold J., Lorentz W. J. Electroanal. Chem. 164:1984;167.
7. Kuznetsov An., Reinhold J., Lorentz W. Electrochim. Acta. 29:1984;801.
8. Kulkarni G.V., Rangarajan S.K. J. Electroanal. Chem. 196:1985;375.
9. Kuznetsov An., Nazmutdinov R.R., Shapnik R.R. Elektrokhimiya. 22:1986;776.
10. Blanco M., Rubio J., Illas F. J. Electroanal. Chem. 261:1989;39.
11. Blanco M., Ricart J.M., Rubio J., Illas F. J. Electroanal. Chem. 267:1989;243.
12. Seitz-Beywl J., Poxleitner M., Probst M.M., Heinzinger K. Int. J. Quantum Chem. 42:1992;1141.
13. Li Y., Krieger J.B., Iafrate G.J. Chem. Phys. Lett. 191:1992;38.
14. Kuznetsov An. Electrochim. Acta. 40:1995;2483.
15. Tóth G., Spohr E., Heinzinger K. Chem. Phys. 200:1995;347.
16. Pacchioni G. Electrochim. Acta. 41:1996;2285.
17. Ignaczak A., Gomes J.A.N.F. Chem. Phys. Lett. 257:1996;609.
18. Ignaczak A., Gomes J.A.N.F. J. Electroanal. Chem. 420:1997;71.
19. Spohr E. Chem. Phys. Lett. 207:1993;104.
20. Gomes J.A.N.F., Ignaczak A. J. Mol. Struct. (Theochem.). 463:1999;113.
21. Thiel P.A., Madey T.E. Surf. Sci. Rep. 7:1987;211. and Refs. therein.
22. Parsons R. Chem. Rev. 90:1990;813. and Refs. therein.
23. Ignaczak A., Gomes J.A.N.F. J. Electroanal. Chem. 420:1997;209. and Refs. therein.
24. Becke A.D. Phys. Rev. A. 38:1988;3098.
25. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
26. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1985;299.
27. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1985;270.
28. Dill J.D., Pople J.A. J. Chem. Phys. 62:1975;2921.
29. Francl M.M., Pietro W.J., Hehre W.J., Binkley J.S., Gordon M.S., DeFrees D.J., Pople J.A. J. Chem. Phys. 77:1982;3654.
30. Hariharan P.C., Pople J.A. Theor. Chim. Acta. 28:1973;213.
31. Basis sets obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, WA 99352, USA.
32. Mulliken R.S. J. Chem. Phys. 23:1955;1833.
33. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
34. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN-94 (Revision B.3), Gaussian Inc., Pittsburgh, PA, 1995.
35. Michaelson H.B. J. Appl. Phys. 48:1977;4729.
36. Valette G. J. Electroanal. Chem. 139:1982;285.
37. Romanowski S., Gomes J.A.N.F. J. Electroanal. Chem. 373:1994;133.
38. Romanowski S.J. Phys. Stat. Solid B. 145:1988;467.
39. Romanowski S.J. Polish J. Chem. 67:1993;729.
40. A. Ignaczak, J.A.N.F. Gomes, in: P. Braunstein, L.A. Oro, P.R. Raithby (Eds.), Metal Clusters in Chemistry, vol. 2, Wiley-VCH, pp. 1159-1178, Ch. 3.10.
41. Sellers H., Patrito E.M., Olivera P.P. Surf. Sci. 356:1996;222.
42. Koper M.T.M., van Santen R.A. Surf. Sci. 422:1999;118.
43. Panas I., Schüle J., Siegbahn P., Wahlgren U. Chem. Phys. Lett. 149:1988;265.