Nonadiabatic Electron Transfer at Metal Surfaces

Journal of Physical Chemistry B

Volumn 104, Issue 9, 2000, Pages 2067-2072

  Gosavi, Shachi ^a   Marcus, R A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001749072     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9933673     Document Type: Article

References (37)

1. Iwasita, T.; Schmickler, W.; Schultze, J. W. Ber. Bensunges. Phys. Chem. 1985, 59, 138.
2. Li, T. T.-T.; Liu, H. Y.; Weaver, M. J. Am. Chem. Soc. 1984, 106, 1233.
3. Capon, A.; Parsons, R. J. Electroanal. Chem. Int. Electrochem. 1973, 46, 215.
4. Au) of 1.7.
5. Au) of 2.3.
6. Chidsey, C. E. D. Science 1991, 251, 919.
7. Finklea, H. O. In Electroanalytical Chemistry; Bard, A. J., Rubenstein, I., Eds.; 19 Marcel-Dekker, Inc: New York, 1996 and references therein.
8. Papaconstantopoulous, D. A. Handbook of Band Structure of Elemental Solids; Plenum Press: New York, 1986.
9. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397. We use the following program: Whangbo, M. H. Extended Hückel Molecular Crystal Properties Package (QCPE Program No. 571).
10. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397. We use the following program: Whangbo, M. H. Extended Hückel Molecular Crystal Properties Package (QCPE Program No. 571).
11. (a) Hsu, C.-P.; Marcus, R. A. J. Chem. Phys. 1997, 106, 584.
12. (b) Hsu, C.-P. J. Electroanal. Chem. 1997, 438, 27.
13. Marcus, R. A. J. Chem. Phys. 1993, 98, 5604 and references therein.
14. Stuchebrukhov, A. A.; Marcus, R. A. J. Phys. Chem. 1995, 99, 7581.
15. Siddarth, P.; Marcus, R. A. J. Phys. Chem. 1993, 97, 6111.
16. Marcus, R. A. J. Chem. Phys. 1965, 43, 679 and references therein.
17. This expression for the rate constant includes the assumption that the solvent's dielectric polarization is not "sluggish".
18. +, A, and B that appear in eq A13.)
19. Oppenheim, A. V.; Wilsky A. S.; Young, I. T. Signals and Systems; Prentice-Hall, Inc.: New Jersey, 1983.
20. A capital letter used here for a vector indicates a vector which can take on discrete values i.e., a vector which points from one atom to another atom both, in the crystal.
21. Slater, J. C.; Koster, G. F. Phys. Rev. 1954, 94, 1498.
22. m is not a good quantum number.
23. Lee, D. H.; Joannopoulos, J. D. Phys. Rev. B 1981, 23, 4988.
24. Lide, D. R., Ed. CRC Handbook of Chemistry and Physics, 74th ed.; CRC Press: 1993-94.
25. Ou-Yang, H.; Kallebring, B.; Marcus, R. A. J. Chem. Phys. 1993, 98, 7145.
26. Kittel, C. Introduction to Solid State Physics, 7th ed.; John Wiley and Sons: New York, 1995.
27. Shin, Y. K.; Szalda, D. J.; Brunschwig, B. S.; Creutz, C.; Sutin, N. Inorg. Chem. 1997, 36, 3190.
28. Au changes from about 1.74 to 1.80 on going from 60 to 600 wave vectors. This seems to be a small enough variation that we use 60 vectors to perform the rest of our calculations.
29. i is the difference in energy of the electronic state of the electron in the bridge and of the HOMO of the bridge.
30. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265.
31. Finklea, H. O.; Ravenscroft, M. S. Isr. J. Chem. 1997, 37, 179.
32. See for example: Evans, D. G. Inorg. Chem. 1986, 25, 4602 and Woolley, R. G. Inorg. Chem. 1988, 27, 430.
33. See for example: Evans, D. G. Inorg. Chem. 1986, 25, 4602 and Woolley, R. G. Inorg. Chem. 1988, 27, 430.
34. For example, see: Stuchebrukhov, A. A.; Marcus, R. A. J. Chem. Phys. 1993, 98, 6044 and references therein.
35. Kiejna, A.; Wojciechowski, K. F. Metal Surface Electron Physics; Pergamon: Elmsford, 1996.
36. Gadzuk, J. W. Phys. Rev. 1969, 182, 416.
37. Gadzuk, J. W. and Plummer, W. E. Rev. Mod. Phy. 1973, 45, 487 and references therein.