A Quantum Chemistry Study on Gas Sensitive of Doped SnO₂

The probable adsorptive ways of CO, H₂ and CH₄ on SnO₂ doped by Sb, Pd and Ag,respectively, have been calculated and electron transfer has been discussed using CNDO/2 method. The actions of Sb, Pd and Ag are providing or accepting electrons, their 5s and 5p orbitals provide the main path for electron transfer.