Ternary alloyed MoS2–xSex nanocomposites with a carrier mobility-dominated gas sensing mode: a superior room temperature gas sensing material for NO2 sensors

The realm of chemiresistive gas sensors has witnessed a notable surge in interest in two-dimensional (2D) materials. The advancement of high-performance 2D gas sensing materials necessitates a quantitative theoretical method capable of accurately predicting their response. In this context, we present our first-principles framework for calculating the response of 2D materials, incorporating both carrier concentration and mobility. We showcase our method by applying it to prototype NH3 sensing on 2D MoS2 and comparing the results with prior experiments in the literature. Our approach offers a thorough solution for carrier concentration, taking into account the electronic structure around the Fermi level. In conjunction with the mobility calculation, this enables us to provide a quantitative prediction of the response profile and limit of detection (LOD), yielding a notably improved alignment with prior experimental findings. Further analysis quantifies the contributions of carrier concentration and mobility to the overall response of 2D MoS2 to NH3. We identify that discrepancies in the charge-transfer-based method primarily stem from overestimating carrier concentrations. Our method opens exciting opportunities to explore carrier mobility-dominated sensing materials, facilitates efficient screening of promising gas sensing materials, and quantitative understanding of the sensing mechanism.

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Ternary alloyed MoS_2–xSe_x nanocomposites with a carrier mobility-dominated gas sensing mode: a superior room temperature gas sensing material for NO₂ sensors

Abstract: For most resistive sensors, the change of carrier concentration usually dominates the conductivity change in the gas sensing process, while the role of carrier mobility change is difficult to reflect....

Cited by 3 publications

References 49 publications

Design and understanding of SnO2 architecture decorated by MoS2 quantum dots for enhancing triethylamine sensing

Design and understanding of SnO2 architecture decorated by MoS2 quantum dots for enhancing triethylamine sensing

Se-doping induces bulk MoS2-Se composites with increased interlayer spacing for enhances lithium-ion batteries

Accurate first-principles simulation for the response of 2D chemiresistive gas sensors

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