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Design Criteria for Oxygen Evolution Electrocatalysts from First Principles: Introduction of a Unifying Material-Screening Approach

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The oxygen evolution reaction (OER) is the bottleneck in proton-exchange membrane (PEM) electrolyzers as substantial overpotentials are required for the formation of gaseous oxygen at anode side to reach a… Click to show full abstract

The oxygen evolution reaction (OER) is the bottleneck in proton-exchange membrane (PEM) electrolyzers as substantial overpotentials are required for the formation of gaseous oxygen at anode side to reach a satisfying current density. In the past years, substantial research investigations were dedicated to search for electrode materials with an ameliorated OER activity. Therein, different frameworks are proposed in the literature. The conventional method based on the computational hydrogen electrode approach relies on an assessment of simple binding energies by deriving linear scaling relationships that translate to a Volcano plot at zero overpotential. Recently, the traditional Volcano concept was extended, in that the applied overpotential and kinetics were accounted for by deducing overpotential-dependent Volcano curves or kinetic scaling relations, respectively. An alternative framework corresponds to the electrochemical-step symmetry index (ESSI), which was suggested as an improved measure within the ...

Keywords: criteria oxygen; evolution electrocatalysts; evolution; design criteria; oxygen evolution; approach

Journal Title: ACS Applied Energy Materials
Year Published: 2019

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