Electrodynamical and Quantum Chemical Modelling of Electrochemical and Catalytic Processes on Metals and Semiconductors: A Review

Abstract

The advanced quantum-mechanical and electrodynamical approaches in the electron theory of catalysis have been generalized to determine quantitatively the catalytic activity for metals, binary metallic alloys and semiconductor materials. The solutions of some model tasks associated with stabilization of ionic states of atomic hydrogen and molecular oxygen in effective electron gas are given. Within the approach the quantitative correlation between the electron structure parameters of the materials and their catalytic activity is found on example of simple model reactions.