A Model of Irregular Impurity at the Surface of Nanoparticle and Catalytic Activity

Abstract

A problem of nanocatalyst improvement is considered. The existence of irregularities at the surface of nanoparticle leads to the increasing of the surface/volume ratio and, correspondingly, to the improvement of the catalytic activity. But this impurity gives one an additional effect due to the change of the electronic density at the surface. We suggest simple model for the description of this effect. The model allows one to find the discrete spectrum of the Schrödinger operator for nanoparticle. Due to this impurity induced bound states the electron density increases near the surface. It leads to the increase of the catalytic activity of nanoparticles with surface impurities.

Thermodynamics and kinetics of non-autonomous phase formation in nanostructured materials with variable functional properties

“…The structure and contribution of nonautonomous phases and properties of polycrystalline materials are greatly influenced by the size and misalignment degree of crystallites in their composition [131][132][133][134][135]. The thickness, structure, composition, and properties of the intercrystalline layer (nonautonomous phase) vary by the crystallite misalignment degree [1,13,27,30,40,59,71,73,85].…”

Flintstone as a nanocomposite material for photonics

“…The structure and contribution of nonautonomous phases and properties of polycrystalline materials are greatly influenced by the size and misalignment degree of crystallites in their composition [131][132][133][134][135]. The thickness, structure, composition, and properties of the intercrystalline layer (nonautonomous phase) vary by the crystallite misalignment degree [1,13,27,30,40,59,71,73,85].…”