Ab initio calculation of electron transfer rates in a model of the metal-electrolyte interface

Abstract

We present calculations of the rate of electron transfer from a semi-infinite jellium metal to a proton imbedded in a polarizable insulating medium. The model is interpreted to give values of the slope of the voltage-log current characteristic of a metal-electrolyte interface. We use a form of the local density approximation to the Kohn-Sham local density variational technique, so that the model contains the quantum properties of the interacting electron gas.