Yang Xu, Cui Hao, Liu Zhongchao, Liu Yun
School of Intelligent Manufacturing, Nanyang Institute of Technology, Nanyang 473004, China.
College of Artificial Intelligence, Southwest University, Chongqing 400715, China.
Sensors (Basel). 2025 Jul 3;25(13):4156. doi: 10.3390/s25134156.
Monitoring SF decomposition gases has emerged as a vital diagnostic technique for evaluating insulation conditions and identifying faults in SF-based electrical equipment. This study comprehensively explores the adsorption properties and sensing capabilities of a Pd-doped InSe (Pd-InSe) monolayer for SF decomposition gases, including SO, SOF, and SOF, through density functional theory calculations. The Pd-InSe monolayer is constructed by substituting one Se atom with a Pd atom in the pristine InSe structure. Then, the Pd doping effect on the InSe monolayer and the adsorption behaviors of the Pd-InSe monolayer for three gases are thoroughly examined. The adsorption configurations, charge density differences, and electron localization functions are scrutinized to elucidate the gas adsorption mechanisms of the Pd-InSe monolayer; and the band structures, along with the density of states, are analyzed to gain insights into the resistive gas sensing mechanisms for detecting these three gases. Finally, the temperature-dependent recovery characteristics are evaluated to assess the reusability of the monolayer. These findings not only underscore the potential of the Pd-InSe monolayer for sensing SF decomposition gases but also open new avenues for the development of next-generation 2D materials in gas sensing applications within the field of electrical engineering.
监测SF分解气体已成为评估基于SF的电气设备绝缘状况和识别故障的重要诊断技术。本研究通过密度泛函理论计算，全面探索了Pd掺杂InSe（Pd-InSe）单层对SF分解气体（包括SO、SOF和SOF）的吸附特性和传感能力。Pd-InSe单层是通过在原始InSe结构中用一个Pd原子取代一个Se原子构建的。然后，深入研究了Pd对InSe单层的掺杂效应以及Pd-InSe单层对三种气体的吸附行为。通过仔细研究吸附构型、电荷密度差和电子定位函数来阐明Pd-InSe单层的气体吸附机制；并分析能带结构以及态密度，以深入了解检测这三种气体的电阻式气敏机制。最后，评估温度依赖的恢复特性以评估单层的可重复使用性。这些发现不仅突出了Pd-InSe单层在传感SF分解气体方面的潜力，也为电气工程领域气体传感应用中下一代二维材料的开发开辟了新途径。
