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Updated: Jun 9, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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Hydroxyl-Binding Induced Hydrogen Bond Network Connectivity on Ru-based Catalysts for Efficient Alkaline Hydrogen

Jianchao Yue1, Yunbo Li1, Chaoyi Yang1

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

Angewandte Chemie (International Ed. in English)
|October 25, 2024
PubMed
Summary

Engineered ruthenium catalysts boost alkaline hydrogen oxidation reaction (HOR) by tuning hydroxyl intermediates. This interfacial engineering enhances water structure and hydrogen bonding for superior electrocatalyst performance.

Keywords:
hydrogen bond networkhydrogen oxidation reactionhydroxyl binding energyin situ surface-enhanced infrared absorption spectroscopymetastable Ru

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