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Updated: Sep 24, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Modulating Pt-O-Pt atomic clusters with isolated cobalt atoms for enhanced hydrogen evolution catalysis

Yufei Zhao1, Priyank V Kumar1, Xin Tan2

  • 1Particles and Catalysis Research Laboratory, School of Chemical Engineering, The University of New South Wales, Sydney, NSW, 2052, Australia.

Nature Communications
|May 4, 2022
PubMed

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