Effects of electron correlations in a simple model for adiabatic electrochemical reactions: The application to particular reactions

Citation
Am. Kuznetsov et Ig. Medvedev, Effects of electron correlations in a simple model for adiabatic electrochemical reactions: The application to particular reactions, RUSS J ELEC, 37(5), 2001, pp. 486-494
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF ELECTROCHEMISTRY
ISSN journal
10231935 → ACNP
Volume
37
Issue
5
Year of publication
2001
Pages
486 - 494
Database
ISI
SICI code
1023-1935(200105)37:5<486:EOECIA>2.0.ZU;2-R
Abstract
Adiabatic free-energy surfaces (AFES) for some typical electrode processes are calculated in the framework of the surface-molecule model for adiabatic electrochemical reactions of electron transfer previously suggested by the authors. The surfaces are analyzed using the proposed diagrams of kinetic modes. It is shown that correlation effects play a substantial role in the reactions and not only considerably diminish the free energy of activation but also lead to qualitatively different shapes of AFES in some regions of modeling parameters.