Low-dimensional metallic nanostructures and their electrochemical relevance: Energetics and phenomenological approach

The energetic stability of a set of 36 adsorbate/substrate(1 1 1) couples involving Au, Ag, Cu, Ni, Pt, and Pd is analyzed for perfect metal surfaces and metal surfaces with different types of defects. Monte Carlo annealing at low temperatures is performed to obtain the minimum energy configurations. The simulation results are used to check some theories employed to calculate the binding energy of atoms on surfaces from simple energetic considerations. Besides, a new phenomenological formulation is developed, which can be employed to predict the existence of underpotential deposition for several types of 0-dimensional structures.