A simple procedure has been found for predicting reversible potentials for reaction intermediates adsorbed on electrode surfaces by perturbing known bulk solution reversible potentials for reaction intermediates by their adsorption energies. In the case of oxygen electroreduction on platinum and several platinum skins on platinum alloys it has been found using first principle density functional calculations that the balance of OOH, OH and O adsorption energies is such that there is an exergonic surface dissociation step that guarantees the reduction must run with overpotential. To overcome this, the adsorption bond strength of OOH must be greater and those for OH and O less than they are on platinum and its alloys.  Finding materials with these properties is a difficult but important challenge.

Adsorption properties of ideal fuel cell cathode electrocatalysts: Can materials with these properties be made?

246th National Meeting (2013)

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