SF₆, as an outstanding insulation medium, is widely used in the high-voltage insulation devices, guaranteeing the safe operation of the power system. Nevertheless, the inevitable partial discharge in a long-running device causes the decomposition of SF₆ and deteriorates its insulation performance. In this work, DFT calculations were performed to study the adsorbing and sensing properties of ZnO-modified C₃N (ZnO-C₃N) nanosheet towards SF₆ decomposed products, in order to propose a novel nano-candidate for evaluating the operation status of SF₆ insulation devises. We first investigated the structure of ZnO-C₃N monolayer and then simulated its adsorption behaviour upon four typical SF₆ decomposed species, namely H₂S, SO₂, SOF₂, and SO₂F₂. It is found that the ZnO-C₃N monolayer can exhibit desirable reactivity and sensitivity on SO₂, SOF₂, and SO₂F₂, leading to the intense deformation of gas molecules and large adsorption energies. These consequences allow the potential application of gas adsorbent based on ZnO-C₃N monolayer for removing impurity gases from SF₆ insulation equipment. According to the analysis, it is supposed that ZnO-C₃N monolayer is qualified to be used in maintaining insulation strength and ensuring the safe operation of power system.

SF ₆作为一种出色的绝缘介质，被广泛用于高压绝缘设备中，从而确保了电力系统的安全运行。然而，长时间运行的设备中不可避免的局部放电会导致SF ₆分解并降低其绝缘性能。在这项工作中，进行DFT计算以研究ZnO修饰的C ₃ N（ZnO-C ₃ N）纳米片对SF ₆分解产物的吸附和传感特性，从而提出一种评估操作状态的新型纳米候选物。 SF ₆绝缘设计。我们首先研究了ZnO-C ₃的结构N单层，然后模拟其在四种典型的SF ₆分解物质H ₂ S，SO ₂，SOF ₂和SO ₂ F _2上的吸附行为。发现ZnO-C ₃ N单层可以表现出对SO ₂，SOF ₂和SO ₂ F _2的期望的反应性和敏感性，从而导致气体分子的强烈变形和大的吸附能。这些结果使得潜在地应用基于ZnO-C ₃ N单层的气体吸附剂来去除SF _6中的杂质气体保温设备。根据分析，可以认为ZnO-C ₃ N单层可以用于维持绝缘强度和确保电力系统的安全运行。