Continuum model of bimetallic nanoparticles for calculating partial coordination numbers

Resumo

A way of calculating partial coordination numbers is proposed for bimetallic nanoparticles with different radial distributions of atoms relative to a selected center. It is based on a continuum approximation for the atomic density distribution in the volume of nanoparticles (continuum model) and does not require the use of cluster-based models of nanoparticles to obtain information on the distribution of components in nanoparticles. The results obtained in this manner are compared to those from directly calculating the partial coordination numbers in atomic clusters.