Stability and Phase Transformations in Au–Pd Nanoparticles Studied by Means of Combined Monte Carlo and Molecular Dynamics Simulations

Surface morphology, element distribution, shape, and stability of bimetallic nanoparticles (NPs) play crucial roles in determining their catalytic activity and performance. However, ab initio molecular dynamics (MD) can treat only systems with tens or few hundreds of atoms on moderate time scales. I...

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Veröffentlicht in:	Journal of physical chemistry. C 2024-02, Vol.128 (7), p.3054-3063
Hauptverfasser:	Ter-Oganessian, Nikita V., Rusalev, Yuri V., Motseyko, Alexey V., Guda, Alexander A., Soldatov, Alexander V.
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Physical Properties of Materials and Interfaces
Online-Zugang:	Volltext
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