| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391244 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
A model Hamiltonian is proposed for bond-breaking electrochemical electron transfer to an adsorbed molecule. The theory is applied to a homonuclear molecule, and self-consistent equations are derived for the occupation probabilities of the orbitals and the system energy. Model calculations result in an adiabatic potential energy surface with a minimum for the adsorbed state with the bond intact and a valley for the two dissociated anions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
E. Santos, M.T.M. Koper, W. Schmickler,