Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 112, Issue 24, Pages 8747-8750Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp802627s
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A self-consistent band theory has been developed for electrochemical interfaces. The surface potential is adjustable by adding surface charge, and a counter charge distribution in the double layer is determined self-consistently using a modified Poisson-Boltzmann theory within a dielectric continuum model. We demonstrate a theory to predict, to useful accuracy, the reversible potentials for 34 acid or base aqueous phase reactions and 4 reactions that are key to understanding electrocatalysis by platinum in oxygen cathodes in fuel cells. We believe this theory will find many applications.
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