LIBROS DEL AUTOR: lauro oliver paz borbon

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  • Computational Studies of Transition Metal Nanoalloys
    Lauro Oliver Paz Borbón
    The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body potential - and Density Functional Theory (DFT) calculat...
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