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Updated: Jun 7, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Thermodynamic Assessment of Sacrificial Oxidant Potential, H2O/O2 Potential, and Rate-Overpotential Relationship to

Shun-Chien Hsiao1, Ting-Yi Chuang1, Sharad V Kumbhar1

  • 1Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan.

Inorganic Chemistry
|November 11, 2024
PubMed

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