Inhomogeneous Charge Distribution in Semiconductor Nanoparticles

Abstract

The inhomogeneous spatial distribution of charge carriers within semiconductor oxide nanoparticles is investigated by taking into account processes involving the interaction of conduction electrons with oxygen donor vacancies in the bulk and with oxygen adsorbates at the surface. The main characteristics of the semiconductor nanoparticles, such as the surface charge, the distributions of positive and negative charges in the bulk, and the temperature dependence of the concentration of conduction electrons, are determined self-consistently by taking into account the interaction of all charges in the system under conditions of complete thermodynamic equilibrium. The developed statistical mechanics model allows us to determine the net surface negative charge on oxygen atoms, the spatial distributions of the conduction electrons, the positively charged ionized donors, and the electrical potential inside the nanoparticle as a function of nanoparticle radius and temperature.