Effect of Ion-Electrode Contact on the Energetics of the Heterogeneous Electron Transfer
Abstract
Using molecular dynamics computer simulation technique we studied the effect of the ion-electrode contact on the energetics of electron transfer reactions. We observed that when the solvation shell of the ion undergoes large changes due to the ion transfer from the bulk to the interface, the energetics of the reaction at the interface differs substantially from the energetics of the reaction in bulk.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 01, 1994
- Accession Number
- ADA281959
Entities
People
- Max L. Berkowitz
- Xinfu Xia
Organizations
- University of North Carolina at Chapel Hill