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Updated: Aug 14, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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Hydroxyl-Binding Energy-Induced Kinetic Gap Narrowing between Acidic and Alkaline Hydrogen Oxidation Reaction on

Lixin Su1, Xinran Fan1, Yiming Jin1

  • 1College of Chemistry and Molecular Sciences, Wuhan University, Wuhan, Hubei, 430072, P. R. China.

Small (Weinheim an Der Bergstrasse, Germany)
|January 15, 2023
PubMed

Keywords:
acidic hydrogen oxidation reactionalkaline hydrogen oxidation reactionhydroxyl-binding energyintermetallic Ru 3Sn 7narrowed kinetic gap

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