Mathematical modeling and numerical simulation of metal nanoparticles electrooxidation

Abstract

A mathematical model is proposed that describes the processes of electrooxidation of metal nanoparticles localized on the surface of an indifferent macroelectrode. In contrast to previously proposed models based on geometric factors (shapes of particles and diffusion zones), the proposed model has introduced thermodynamic considerations which take into account the energy differences between the nanoparticle ensembles from microparticles and macroparticles. A series of voltammograms was obtained as a result of calculations and characteristic relationships between the different parameters were found. An analysis of the findings, on the one hand, predicts the shape and characteristic features of the experimental voltammograms and, on the other hand, provides information regarding energetic properties of the nanoparticles. © 2009 Springer-Verlag.