arXiv subjects

Mario G. Del Popolo

Publications and source records attributed to Mario G. Del Popolo.

2 recordsLinked to original sources

arXiv2008

Monte Carlo Simulation for the Formation and Growth of Low Dimensionality Phases During Underpotential Deposition of Ag on Au(100)

Simulation studies are undertaken for the system Ag/Au(100) by means of grand canonical Monte Carlo applied to a large lattice system. The interactions are calculated using the embedded atom model. The formation of adsorbed Ag phases of low dimensionality on Ag(100) is investigated and the influence of surface defects on the shape of the adsorption isotherms is studied. The results of the simulations are discussed in the light of experimental information available from electrochemical measurements.

cond-mat.mtrl-sci↗

arXiv2003

Kinetic Monte Carlo Study of Electrochemical Growth in a Heteroepitaxial System

Structural and kinetic aspects of 2-D irreversible metal deposition under potentiostatic conditions are analyzed by means of dynamic Monte Carlo simulations employing embedded atom potentials for a model system. Three limiting models, all considering adatom diffusion, were employed to describe adatom deposition.The first model (A) considers adatom deposition on any free substrate site on the surface at the same rate. The second model (B) considers adatom deposition only on substrate sites which exhibit no neighboring sites occupied by adatoms. The third model (C) allows deposition at higher rates on sites presenting neighboring sites occupied by adatoms.

cond-mat.mtrl-sci↗