【摘要】 在新型电力系统中，油浸式变压器作为电网核心能量转换枢纽，其运行可靠性决定了电力系统的安全稳定与能源供应安全。变压器服役过程中，内部电、热、机械应力会引发局部放电、绝缘过热等缺陷，导致绝缘油分解产生C₂H₂、H₂等特征故障气体，其中C₂H₂是严重电弧放电的标志性气体，H₂是绝缘劣化早期的核心析出气体，两种气体的组分变化是变压器绝缘状态评估与故障诊断的关键依据。传统油中溶解气体分析方法存在离线检测滞后、设备昂贵、无法实现在线实时监测等短板，而基于二维材料的半导体气敏传感器为该问题提供了全新的解决思路。本研究基于密度泛函理论（DFT），系统分析了Fe、Ni改性的单层MoSe₂材料对变压器油中C₂H₂、H₂两种核心特征气体的吸附行为、电子结构响应与气敏传感特性，同时结合变压器油纸绝缘击穿的实际工况，探究了材料的工程应用价值。结果表明，Fe、Ni原子掺杂可在MoSe₂表面形成热力学稳定的掺杂结构，掺杂过程自发进行，且在500 K变压器极端工况下仍保持优异的结构稳定性。两种材料为油浸式变压器故障气体检测用气敏材料的选型、设计与工程应用提供了理论支撑与设计思路。更多还原

【Abstract】 In modern power systems, oil-immersed transformers impacts grid stability and energy supply security. During service, electrical, thermal, and mechanical stresses within transformers may induce defects like partial discharge and insulation overheating,leading to the decomposition of insulating oil and the release of characteristic gases such as C₂H₂（a hallmark gas for severe arc discharge） and H₂（a key precursor to early insulation degradation）. The dynamic changes in these gas compositions provide essential data for transformer insulation assessment and fault diagnosis. Traditional oil-gas analysis methods face limitations including delayed offline detection, high equipment costs, and inability to achieve real-time monitoring. Semiconductor gas sensors based on two-dimensional materials offer a novel solution. This study employs density functional theory（DFT） to systematically analyze the adsorption behavior, electronic structure response, and gas-sensing properties of Fe-and Ni-doped single-layer MoSe₂ materials for detecting C₂ H₂ and H₂. By integrating practical transformer oil-paper insulation breakdown scenarios, we evaluate the material’s engineering applicability. Results demonstrate that Fe and Ni atomic doping spontaneously forms thermodynamically stable structures on MoSe₂ surfaces, maintaining excellent structural integrity even under extreme 500 K transformer conditions.更多还原