Interfacial Electrochemical Methods: Overview
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model
Formation of Complex Ions
Electrochemistry: Overview
Energetics of Solution Formation
Intermolecular Forces
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Zisheng Zhang1, Jun Li2, Yang-Gang Wang
1Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States.
Single atom electrocatalysts are complex, with interfacial dynamics significantly impacting their performance. Realistic modeling is crucial for understanding and optimizing these noble metal-free catalysts for energy and environmental applications.
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