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Updated: Jun 3, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Understanding Catalyst 'Volcano' Dependence Through Fermi-Level Controlled Kinetics Using Electronic Theory

Nigora Turaeva1, Gregory Yablonsky2, Rebecca Fushimi3

  • 1Department of Natural Sciences and Mathematics, Webster University, Saint Louis, MO 63119, USA.

Entropy (Basel, Switzerland)
|January 8, 2025
PubMed

Keywords:
Fermi levelcatalysiskineticsvolcano-shape

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