Potential‐Dependent Oxygenated Surface Phases and Interfacial Water Layers Underlie the High Overpotential and Mechanistic Switching of Oxygen Evolution on RuO 2
Abstract
ABSTRACT Precisely deciphering the intrinsic origin of the high overpotential for oxygen evolution reaction (OER), even on the most active RuO 2 catalysts, remains a long‐standing challenge in electrocatalysis. Herein, by meticulously elucidating the electrode charging behavior, oxygenated surface phases and interfacial double‐layer structures under OER‐relevant potentials on RuO 2 (110), together with their impact on reaction pathways and elementary‐step energetics through ab‐initio molecular dynamics simulations, we reveal that the high overpotential jointly arises from the pronounced surface negative charge, due to the unusually high potential of zero charge, and the excessive protonation of surface‐active *O at coordinatively unsaturated Ru sites (*O CUS ) at low potentials (
Fields of Study & Subjects
Electrocatalysts for Energy Conversion
Ammonia Synthesis and Nitrogen Reduction
Advanced battery technologies research
Publication details
- Journal / source
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Volume
- 65
- Issue
- 21
- Pages
- e21856–e21856
- Publication date
- 10 April 2026
- Language
- EN