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首页> 外文期刊>Sensors Journal, IEEE >Detecting Decompositions of Sulfur Hexafluoride Using MoS2Monolayer as Gas Sensor
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Detecting Decompositions of Sulfur Hexafluoride Using MoS2Monolayer as Gas Sensor

机译：MoS 2 单分子膜作为气体传感器检测六氟化硫的分解

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摘要

The adsorption and gas sensing properties of monolayer MoS2to five kinds of sulfur hexafluoride decompositions (SO2, SOF2, SO2F2, H2S, HF) were explored using the density functional theory combined with the nonequilibrium Green’s function. The adsorption energy, electron transfer, charge density difference configurations, current–voltage ($I$–$V$) character using a two-electrode based device and transmission coefficient have been discussed. The results show that the adsorption of SO2brings the largest adsorption energy as well as electron transfer. According to the simulated device, the unique negative conductance phenomenon was found for SO2. The MoS2monolayer-based sensor has the highest response to SO2when the bias voltage is 1.2 V, reaching 7.74 and has the largest response to H2S when 1.8 V. The transmission spectrum analysis shows that after introducing different gas molecules, the transmission coefficient has different changes in different energy ranges. This paper can provide a theoretical basis for designing MoS2monolayer-based gas sensing device to detect the decompositions of sulfur hexafluoride or other specific gases.
机译：单层MoS n 2 n分解为五种六氟化硫（SO n 2 n，SOF n 2 n，SO n 2 nF n 2 n，H n 2 nS，HF）结合密度泛函理论和非平衡格林函数进行了探索。吸附能，电子转移，电荷密度差配置，电流-电压（ n <直列式xmlns：mml = “ http：//www.w3.org/1998/Math/MathML ” xmlns：xlink = “ http://www.w3.org/1999/xlink"> $ I $ n– n <内联公式xmlns：mml = “ http：//www.w3.org/1998/Math/MathML ” xmlns：xlink = “ http：//www.w3.org/1999/xlink ”> $ V $ n）字符和传输系数。结果表明，SO n 2 n带来最大的吸附能和电子转移。根据模拟设备，发现SO n 2。 MoS n 2 n基于单层的传感器对SO n 2，当偏置电压为1.2 V时达到7.74，并且对H n 2 nS在1.8 V时。透射光谱分析表明，引入不同的气体分子后，透射系数在不同的能量范围内具有不同的变化。本文可以为设计MoS n 2 n基于单层的气体传感设备，可检测六氟化硫或其他特定气体的分解。

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  • 来源
    《Sensors Journal, IEEE》 |2019年第1期|39-46|共8页
  • 作者

    Dachang Chen; Ju Tang; Xiaoxing Zhang; Yi Li; Huijun Liu;

  • 作者单位

    School of Electrical Engineering and Automation, Wuhan University, Wuhan, China;

    School of Electrical Engineering and Automation, Wuhan University, Wuhan, China;

    School of Electrical Engineering, Wuhan University, Wuhan, China;

    School of Electrical Engineering and Automation, Wuhan University, Wuhan, China;

    Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education and the School of Physics and Technology, Wuhan University, Wuhan, China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Adsorption; Molybdenum; Sulfur; Sulfur hexafluoride; Hafnium; Gas detectors;

    机译：吸附钼硫六氟化硫H气体检测器;

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