Electrosorption of a repulsive binary mixture on modified electrodes

Abstract

Standard Monte Carlo simulation was used in the Grand Canonical Ensemble to study the electrosorption of a repulsive binary mixture on a modified electrode surface, to identify and analyze the individual contribution of each species to the total current signal. The electrode is modified with the deposition of impurities, whose function is to block a percentage of the adsorption sites. In this electrode two electroactive species can be deposited and transfer charge in the same working potential window. Thermodynamics and voltammetry are analyzed in different energy scenarios. Adsorption isotherms, partial and total currents were calculated and was analyzed and discussed in terms of surface fluctuations and low temperature phases formed in the system