Journal Article FZJ-2023-04023

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Oxygen desorption – Critical step for the oxygen evolution reaction

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2023
Elsevier Amsterdam

Current opinion in electrochemistry 42, 101382 - () [10.1016/j.coelec.2023.101382]

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Abstract: The oxygen evolution reaction (OER) has been widely investigated in computational electrocatalysis. Recent studies suggest that the final oxygen desorption step could be rate-limiting, or even inhibiting, for the classical OER mechanism on the benchmark IrO2 electrocatalyst, and a novel reaction mechanism has been proposed circumventing this bottleneck. In this review, we provide an overview of recent progress in OER electrocatalysis with a concise focus on computational studies that explicitly accounted for the elementary step of O2 desorption. We highlight the computational and methodological intricacies that led to not considering this step as crucial by earlier OER studies. Key suggestions are provided for future studies to open new directions in OER electrocatalysis.

Classification:

Contributing Institute(s):
  1. IEK-13 (IEK-13)
Research Program(s):
  1. 1212 - Materials and Interfaces (POF4-121) (POF4-121)

Appears in the scientific report 2023
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Medline ; Creative Commons Attribution-NonCommercial-NoDerivs CC BY-NC-ND 4.0 ; OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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 Record created 2023-10-20, last modified 2024-07-12


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