Molecular Dynamics Simulation of Solvent Reorganization in Ion Transfer Reactions near a Smooth and Corrugated Surface

Journal of Physical Chemistry B

Volumn 108, Issue 12, 2004, Pages 3824-3827

  Hartnig, Christoph ^a,b   Koper, Marc T M ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGED PARTICLES; COMPUTER SIMULATION; CORRUGATED METAL; ELECTROSTATICS; FREE ENERGY; HAMILTONIANS; INTERFACES (MATERIALS); SURFACE ROUGHNESS; TRANSPORT PROPERTIES; WATER;

ELECTRON TRANSFER; ION TRANSFER REACTIONS;

MOLECULAR DYNAMICS;

EID: 1842738232     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0378945     Document Type: Article

References (22)

1. Schmickler, W. Chem. Phys. Lett. 1995, 237, 152.
2. Schmickler, W. Electrochim. Acta 1996, 41, 2329.
3. Koper, M. T. M.; Schmickler, W. In Electrocatalysis; Lipkowski, J., Ross, P. N., Eds.; Wiley-VCH: New York, 1998; p.291.
4. Koper, M. T. M.; Schmickler, W. J. Electroanal. Chem. 1998, 450, 83.
5. Spohr, E. Chem. Phys. Lett. 1990, 141, 87.
6. Pecina, O.; Schmickler, W.; Spohr, E. J. Electroanal. Chem. 1995, 394, 29.
7. (a) Marcus, R. A. J. Chem. Phys. 1956, 24, 966.
8. (b) Marcus, R. A. J. Chem. Phys. 1965, 43, 679.
9. (c) Marcus, R. A. Angew. Chem. Int. Ed. Engl. 1993, 32, 1111.
10. Hartnig, C.; Koper, M. T. M. J. Am. Chem. Soc. 2003, 125, 9840.
11. Muscat, J. P.; Newns, D. M. Prog. Surf. Sci. 1978, 9, 1.
12. Straus, J. B.; Calhoun, A.; Voth, G. A. J. Chem. Phys. 1995, 102, 529.
13. Thiel, P. A.; Madey, T. E. Surf. Sci. Rep. 1987, 7, 211.
14. Schonnenschein, R.; Heinzinger, K. Chem. Phys. Lett. 1983, 102, 550.
15. Wallqvist, A. Chem. Phys. Lett. 1990, 165, 437.
16. Lee, S. H.; Rossky, P. J. Chem. Phys. 1994, 100, 3334.
17. Lee, S. H.; Rasaiah, J. C. J. Phys. Chem. 1996, 100, 1420.
18. Raghavan, K.; Foster, K.; Motakabbir, K.; Berkowitz, M. J. Chem. Phys. 1991, 94, 2110.
19. Yeh, I. C.; Berkowitz, M. J. Chem. Phys. 1999, 111, 3155.
20. Hartnig, C.; Koper, M. T. M. J. Chem. Phys. 2001, 115, 8540.
21. Warshel, A. J. Phys. Chem. 1982, 86, 2218.
22. Koper, M. T. M.; van Santen, R. A. Surf. Sci. 1998, 422, 118.