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Updated: Aug 27, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Hetero-Atomic Pairs with a Distal Fe3+ -Site Boost Water Oxidation

Yanping Zhu1, Gao Chen2, You-Chiuan Chu1

  • 1Department of Chemistry, National Taiwan University, Taipei, 106, Taiwan.

Angewandte Chemie (International Ed. in English)
|September 29, 2022
PubMed

Keywords:
Hetero-Atomic PairsLewis Acidic Fe3+Metal-Support InteractionOperando CharacterizationWater Oxidation

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