Surface-Dependent Interfacial Concentration of Oxygen Confined within Pd Interlayers: Molecular Dynamics with a Neural Network Potential.
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DOI: 10.1021/acsami.5c15915
Abstract: Obtaining a detailed understanding of the interfacial dynamics of oxygen on palladium surfaces is crucial for industrial applications. However, it remains challenging to develop reaction-transport coupling mechanisms to enhance the activity and stability of Pd-based… read more here.
Keywords: network potential; within interlayers; surface; molecular dynamics ... See more keywords