Author/Authors :
Santos، نويسنده , , E. and Koper، نويسنده , , M.T.M. and Schmickler، نويسنده , , W.، نويسنده ,
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.
