Calculation of the Sensing Performance of SnO2 Doped with Au Atom on C4F7N

C4F7N, as a possible environmentally friendly insulating gas used to replace SF6, has gained much attention due to its low greenhouse effect and good insulating properties. However, considering its incompatibility with sealing materials of power equipment and biotoxicity, it is necessary to detect its leakage in real time to ensure the stable operation of equipment and personal safety of the workers. The existing SnO2 sensor for C4F7N detection has the limitation of high operating temperature, and the doping of metal monomers is expected to improve the adsorption energy and reduce the operating temperature. Therefore, in this paper, the adsorption characteristics of C4F7N by SnO2 doped with Au atom, including adsorption energy, charge transfer and density of states function, were obtained by calculation based on the First-principle. The results show that the doping of Au atoms as catalysts can substantially improve the adsorption energy, providing a theoretical basis for its ability to improve the sensing performance of SnO2 on C4F7N.