Abstract:We use a coordination-based kinetics model to look at the kinetics of the turnover frequency (TOF) for the oxygen reduction reaction (ORR) for platinum nanoclusters. Clusters of octahedral, cuboctahedral, cubic, and icosahedral shape and size demonstrate the validity of the coordination-based approach. The Gibbs adsorption energy is computed using an empirical energy model based on density functional theory (DFT), statistical mechanics, and thermodynamics. We calculate the coordination and size dependence of t… Show more
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