DFT-metadynamics insights on the origin of the oxygen evolution kinetics at the (100)-WSe2 surface

Summary: Water oxidation or oxygen evolution reaction (OER) in electrochemical cells is considered to be a major bottleneck in the way of hydrogen production by electro-synthesis, mainly due to a sluggish kinetics that characterizes the OER steps. Layered transition metal dichalcogenides, such as WS...

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Bibliographic Details
Main Authors: Fabrizio Creazzo, Kevin Sivula, Sandra Luber
Format: Article
Language:English
Published: Elsevier 2025-03-01
Series:iScience
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2589004225003050
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