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

作     者：I.V.Blinova V.V.Gusarov I.Yu.Popov 

作者机构：St.Petersburg National Research University of Information TechnologiesMechanics and OpticsKronverkskiy49St.Petersburg 197101Russia St.Petersburg State Technological Institute (Technical University)Moskovskiy26St.Petersburg 190013Russia 

出 版 物：《Communications in Theoretical Physics》 (理论物理通讯（英文版）)

年 卷 期：2012年第58卷第7期

页      面：55-58页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

基　　金：Supported by Federal Targeted Program "Scientific and Educational Human Resources for Innovation-Driven Russia" (contracts P689NK-526P, 14.740.11.0879, and 16.740.11.0030) and grant 11-08-00267 of Russian Foundation for Basic Researches state contract SC16.516.11.6073 and by Federal Targeted Program "Researches and Development in the Prioring Directions Developments of a Scientific and Technological Complex of Russia 2007-2013" (state contract 07.514.11.4146) 

主　　题：semi-infinite crystal operator spectrum impurity catalytic activity nanoparticle 

摘      要：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 Schrdinger 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.