Monolayer Tellurene-Based Gas Sensor to Detect SF6 Decompositions: A First Principles Study
Monolayer Tellurene-Based Gas Sensor to Detect SF6 Decompositions: A First Principles Study
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DOI：
10.1109/led.2019.2926886
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发表时间：
2019-09-01
影响因子：
4.9
通讯作者：
Chen, Xianping
中科院分区：
文献类型：
--
作者：
Cui, Heping;Zheng, Kai;Chen, Xianping
本文采用密度泛函理论（DFT）计算方法研究了SF6分解物（HF、SOF2、SO2、SO2F2和H2S）在单层碲上的吸附性能。结果表明，单层碲对SF6的分解组分，特别是对SO2和SOF2，具有良好的吸附强度和明显的电荷转移。此外，计算的态密度（DOS）进一步揭示了吸附SO2和SOF2后电子性质发生了明显变化。这些结果表明，碲基气体传感器是检测高压绝缘设备中SF6分解的潜在候选者。
The sensing performances of SF6 decompositions, including HF, SOF2, SO2, SO2F2, and H2S, adsorption on monolayer tellurene have been investigated by means of density functional theory (DFT) calculations in this letter. The attained results show that the monolayer tellurene is preferable for SF6 decomposition components, especially for SO2 and SOF2, exhibiting favorable adsorption strength and apparent charge transfers. Besides, the calculated density of states (DOS) further reveals the electronic properties are obviously changed after SO2 and SOF2 adsorption. These results signify that tellurene-based gas sensor is a potential candidate for detecting SF6 decompositions in high-voltage insulation equipment.