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Pt-MoSe单层对SOF和SOF的吸附及气敏特性

Adsorption and Gas Sensing Properties of the Pt-MoSe Monolayer to SOF and SOF.

作者信息

Qian Hai, Deng Jun, Xie Zhicheng, Pan Zhicheng, Zhang Jinyin, Zhou Haibin

机构信息

Maintenance and Test Center of EHV Power Transmission Company, China Southern Power Grid, Guangzhou 510663, China.

出版信息

ACS Omega. 2020 Mar 27;5(13):7722-7728. doi: 10.1021/acsomega.0c00922. eCollection 2020 Apr 7.

DOI:10.1021/acsomega.0c00922
PMID:32280916
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7144166/
Abstract

SF acts as an insulation gas in gas-insulated switchgear (GIS), which inevitably decomposes under partial discharge caused by insulation defects. This work is devoted to finding a new gas-sensing material for detecting two characteristic SF decomposition products: SOF and SOF. The platinum-cluster-modified molybdenum diselenide (Pt-MoSe) monolayer has been proposed as a gas sensing material. Based on first-principles calculations, the adsorption properties and the mechanism were studied by analyzing the adsorption structures, adsorption energy, charge transfer, density of states, and molecular orbitals. The adsorption ability of Pt-MoSe to SOF is stronger than that to SOF due to its chemisorption property. The obvious change of conductivity of the adsorption system during the gas adsorption process shows that Pt-MoSe is sensitive to both of the gas molecules. In addition, the modest adsorption energy signifies that the gas adsorption process can be reversible, which confirms the feasibility of Pt-MoSe-based gas sensors. Our calculation suggests that Pt-MoSe-based gas sensors can be employed in GIS for partial discharge detection.

摘要

六氟化硫（SF）在气体绝缘开关设备（GIS）中用作绝缘气体，在由绝缘缺陷引起的局部放电作用下不可避免地会发生分解。这项工作致力于寻找一种新型气敏材料，用于检测六氟化硫的两种特征分解产物：四氟化亚硫酰（SOF）和四氟化硫酰（SOF）。已提出铂团簇修饰的二硒化钼（Pt-MoSe）单层作为一种气敏材料。基于第一性原理计算，通过分析吸附结构、吸附能、电荷转移、态密度和分子轨道，研究了其吸附特性和机理。由于其化学吸附特性，Pt-MoSe对SOF的吸附能力强于对SOF的吸附能力。气体吸附过程中吸附体系电导率的明显变化表明，Pt-MoSe对这两种气体分子都敏感。此外，适度的吸附能表明气体吸附过程可以是可逆的，这证实了基于Pt-MoSe的气体传感器的可行性。我们的计算表明，基于Pt-MoSe的气体传感器可用于GIS中的局部放电检测。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/2d249c32bdd2/ao0c00922_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/c16cca104920/ao0c00922_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/cf35cd45fdd8/ao0c00922_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/d82fe56601bc/ao0c00922_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/ed4cfd8fc00c/ao0c00922_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/a095023e098c/ao0c00922_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/b2e1199377bb/ao0c00922_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/2d249c32bdd2/ao0c00922_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/c16cca104920/ao0c00922_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/cf35cd45fdd8/ao0c00922_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/d82fe56601bc/ao0c00922_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/ed4cfd8fc00c/ao0c00922_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/a095023e098c/ao0c00922_0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/b2e1199377bb/ao0c00922_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b259/7144166/2d249c32bdd2/ao0c00922_0004.jpg

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