In the present work, we report on recent advances in the theoretical modelling of upd on free NPs [5,6]. We discuss this problem in three different contexts: 1) theoretical approach: from a nanothermodynamic formalism up to a statistical mechanical model; 2) atomistic simulation: using different Monte Carlo simulation techniques, from simple gas models up to continuum simulations in the grand canonical ensemble; 3) experimental feasibility: by means of a state-of-the art quantum mechanical atomistic model, we simulate the plasmon spectra of nanoparticles in different conditions. We discuss the electrochemical decoration of Au, Ag and Pd nanoparticles by different foreign metals. It is found that depending on precursor nanoparticle size and shape, controlled decoration may be achieved in undersaturation or oversaturation conditions. Multilayer deposition is also considered, with the finding that this phenomenon is also size dependent, in agreement with experimental measurements.
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