SF₆ is widely used in insulation and arc extinguishing due to its excellent insulation performance. The detection of its decomposed gases can help us to effectively identify the types of internal malfunctions in gas-insulated switchgear (GIS). Based on the Density functional theory (DFT), the adsorption performance of intrinsic MoTe₂ and Sc-doped MoTe₂ (Sc-MoTe₂) on four gases (SO₂, H₂S, SO₂F₂, SOF₂) from SF₆ decomposition were studied in this paper. The calculation results indicate that the intrinsic MoTe₂ monolayers have weak adsorption capacity and low adsorption energy (E_ad) for SF₆ decomposition gas products, which are all physical adsorption and with small transfer charge. However, the adsorption ability of MoTe₂ monolayer film to SF₆ decomposition gas products is significantly enhanced after doping the Sc atom. The adsorption energy is changed into chemical adsorption, and the amount of transferred charge in the adsorption process is significantly increased. Therefore, the adsorption performance of Sc-MoTe₂ for four gas products (SO₂, H₂S, SO₂F₂, SOF₂) from SF₆ decomposition are obviously superior to intrinsic MoTe₂. The results are helpful to further explain the sensing mechanism of gases in MoTe₂, and establish a foundation for the sensor based on MoTe₂ to detect SF₆ decomposition gases.

SF ₆因其优良的绝缘性能而广泛应用于绝缘和灭弧。对其分解气体的检测可以帮助我们有效识别气体绝缘开关设备（GIS）内部故障的类型。基于_{密度泛函理论(DFT)，研究了本征MoTe 2}和Sc掺杂MoTe ₂ (Sc-MoTe ₂ )对SF中四种气体(SO ₂、H ₂ S、SO ₂ F ₂、SOF _{2 )}的吸附性能本文对_{6种分解进行了研究。}计算结果表明本征MoTe ₂单分子层对SF _{6分解气体产物的}吸附能力弱，吸附能(E _{ad )低}，均为物理吸附，转移电荷小。而掺杂Sc原子后_{MoTe 2}单层膜对SF _{6分解气体产物的吸附能力显着增强。}将吸附能转变为化学吸附，吸附过程中转移电荷量显着增加。因此，Sc-MoTe ₂对四种气体产物（SO ₂、H ₂ S、SO ₂ F ₂、SOF₂ ) SF ₆分解明显优于本征MoTe ₂。研究结果有助于进一步解释MoTe _{2中气体的传感机理，为基于MoTe 2}的传感器检测SF ₆分解气体奠定基础。