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• W2000736334 abstract "Understanding trends in selectivity is of paramount importance for multi-electron electrochemical reactions. The goal of this work is to address the issue of 2e(-) versus 4e(-) reduction of oxygen on metal surfaces. Using a detailed thermodynamic analysis based on density functional theory calculations, we show that to a first approximation an activity descriptor, ΔGOH*, the free energy of adsorbed OH*, can be used to describe trends for the 2e(-) and 4e(-) reduction of oxygen. While the weak binding of OOH* on Au(111) makes it an unsuitable catalyst for the 4e(-) reduction, this weak binding is optimal for the 2e(-) reduction to H2O2. We find quite a remarkable agreement between the predictions of the model and experimental results spanning nearly 30 years." @default.
• W2000736334 created "2016-06-24" @default.
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• W2000736334 date "2012-09-28" @default.
• W2000736334 modified "2023-10-03" @default.
• W2000736334 title "Unifying the 2e^– and 4e^– Reduction of Oxygen on Metal Surfaces" @default.
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• W2000736334 doi "https://doi.org/10.1021/jz301476w" @default.
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