Influence of Pd Clusters Doping on Gas Sensing Properties of TiO2(101) Nanotubes to SF6Decomposition Products

Abstract

Detection and analysis of sulfur hexafiuoride (SF6) decomposition components is one of the most used methods to realize online monitoring of gas insulated switchgear (GIS) faults. In this paper, Pd3-doped anatase TiO2(101) surface was constructed, and studied about its geometric and electronic properties to characteristic SF6decomposition products: SOF2and SO2F2based on DFT calculations. Comparing with intrinsic TiO2(101), the conductivity of Pd3-TiO2(101) surface decreases dramatically. Studies on adsorption energy, charge transfer, and adsorption distance show that Pd3-TiO2(101) shows strong chemisorption to SOF2and SO2F2molecules. Based on density of states and molecular orbital theory analysis, it is found that the adsorption of SOF2and SO2F2can dramatically change the conductivity in different degrees. As a result, the Pd3-TiO2(101) surface exhibits high gas sensitivity and selectivity to SOF2and SO2F2molecules. Our calculations would be meaningful for the development of new sensing materials for SF6decomposition components detection.