Role of Magnetism in Catalysis: RuO₂ (110) Surface

Abstract

Angular momentum seems to not be conserved in chemical reactions where one of the reactants is magnetic; consequently, such reactions show a high activation barrier. An example is the production of hydrogen by electrolysis of water: practically all losses occur in the production of (magnetic) oxygen. Anodes with a low overvoltage (a measure of the losses) are based on the ruthenium dioxide (110) surface. First-principles electronic structure calculations show that this surface itself carries magnetic moments. This magnetic surface enables the production of oxygen in the ground state while conserving angular momentum.