Mo2C-Based Microfluidic Gas Sensor Detects SF6 Decomposition Components: A First-Principles Study

Abstract

Mo2C is a two-dimensional material with high electrical conductivity, low power consumption, and catalytic effect, which has promising applications in the field of microfluidic gas detection. First principles were used to study the adsorption characteristics of Mo2C monolayer on four typical decomposition gases of SF6 (H2S, SO2, SOF2, and SO2F2), and to explore the feasibility of its application in the detection of SF6 decomposition components. The results showed that Mo2C chemisorbed all four gases, and the adsorption capacity was H2S < SO2 < SOF2 < SO2F2. The adsorption mechanism of Mo2C as a microfluidic sensor was analyzed in combination with its charge-density difference and density of states. On the other hand, the different work-function change trends after adsorbing gases provide the possibility for Mo2C to selectively detect gases as a low-power field-effect transistor sensor. All content can be used as theoretical guidance in the realization of Mo2C as a gas-sensitive material for the detection of SF6 decomposition components.