First principles study on rutile SnO_2 improving gas sensor properties of porous SnO_2-In_2O_3 composites

摘要

we built the rutile SnO_2 to study SnO_2 improving gas sensor properties for rutile structure of SnO_2 existing in the SnO_2-In_2O_3 composite materials by X-ray analysis. The surface (110) of SnO_2 is a stable structure by analysis of surface energy. Compared with oxidized surface (110), reduced surface (110) has better conductivity and stability. As a result, the CO adsorption changes the electric conductivity of the whole reductive (110) surface, and leads to the deviation of Fermi energy. Therefore, it is an important reason affecting gas sensor properties of the SnO_2-In_2O_3 composite materials. By calculating and simulating the density functional first-principal, the research of the adsorption of rutile SnO_2 towards CO provides a theoretical foundation for the argument of the gas sensitivity of porous SnO_2-In_2O_3 composite materials towards CO with the increasing of SnO_2 contents.