Regulation of surface properties of photocatalysis material TiO2 by strain engineering

摘要

As a promising photocatalysis material,TiO2 has long been studied by experimental and theoretical methods.The external strain could affect the catalytic reactivity of TiO2 significantly due to the difference in surface elastic properties of different surface structures with different surface adsorption or defects.This article reviews our recent work by using density function theory calculations on the effect of strain on the TiO2 surface properties,including surface relative stability,surface defects,surface adsorption and dissociation.