Abstract:Compared to alloy bulk phase diagrams, the experimental determination of phase diagrams for alloy nanoparticles (NPs), which are useful in various nanotechnological applications, involves significant technical difficulties, making theoretical modeling a feasible alternative. Yet, being quite challenging, modeling of separation nanophase diagrams is scarce in the literature. The task of predicting comprehensive nanophase diagrams for Pd−Ir face-centered cubic-based three cuboctahedra is facilitated in this stud… Show more
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