FERRANDO , Riccardo

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Structure and Properties of Nanoalloys is devoted to the topic of alloy nanoparticles, the bi-or multicomponent metallic nanoparticles that are often called nanoalloys. The interest in nanoalloys stems from the wide spectrum of their possible applications in the fields of catalysis, magnetism, and optics. Nanoalloys are also interesting from a...

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Nanoalloys are bi- or multi-component metallic particles in the size range between 1 and 100 nm. Nanoalloys present a wide variety of structures and properties, which make them suitable for many applications in catalysis, optics, magnetism and biomedicine. This topical review is devoted to the structural properties of nanoalloys of weakly...

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A first-principles investigation of the effect of the doping of golden cages of 32 atoms is proposed. It is shown that Ag and Cu doping affects the geometrical stability of the icosahedral fullerene Au32 cage, where Ag-doping leads to a new, low symmetric, and prolate motif while Cu-doping leads to a lump, incomplete decahedral shape. Most...

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The search for the lowest potential energy configuration of nanoalloys is a challenging global optimization problem. As size increases above 100 atoms (∼1.5 nm), the optimization of the structure and, at the same time, of the chemical order of the two metal components becomes extremely challenging. Here we present an implementation of the...

Solid-solid transformations in Pd-Pt nanoalloys in the size range 32-38 atoms and for different compositions are computationally studied by the superposition approximation to the partition function, and by molecular dynamics simulations. A broad spectrum of transition types is shown to take place. These transition types are: (i) one-to-one...

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