Adsorption Analysis of SF6 Decomposition Remnants on a 2D Doped InTe Monolayer: A DFT Approach

被引:6
|
作者
Khengar, Siddharajsinh J. [1 ]
Mahida, Hardipinh R. [2 ]
Patel, Harshal P. [3 ]
Thakor, Pankajsinh B. [1 ]
机构
[1] Veer Narmad South Gujarat Univ, Dept Phys, Surat 395007, Gujarat, India
[2] Dept Phys, Navyug Sci Collage, Surat 395009, Gujarat, India
[3] Birsa Munda Tribal Univ, Sch Sci, Rajpipla 393145, Gujarat, India
关键词
2D InTe monolayer; SF6 decomposition remnants; gas sensing; adsorptionproperties; densityfunctional theory; GAS; INSE;
D O I
10.1021/acsanm.4c02896
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
In SF6-submerged gas-insulated switchgear that is one of the major components of power-generating systems, it became necessary that it function properly. As time passes, SF6 is decomposed to gas like HF, H2S, SO2, SOF2, and SO2F2. These decomposed remnants and other byproducts CO, CO2, and CF4 need to be detected for the proper function of the power system. The decomposed remnants and other byproducts are sensed via the InTe and doped InTe-F monolayers using density functional theory in this work. The physisorption-type gas sensing is observed by pristine and doped InTe monolayers. The adsorption analysis and electronic properties are calculated. The charge localization and redistribution are calculated by using the electron localization function and charge density difference. The selectivity of the InTe monolayer is understood by the work function. The detection limit of the InTe monolayer is verified by calculating the recovery time. Thus, all of the analyses suggest its potential application in gas-insulated switchgear (GIS).
引用
收藏
页码:17648 / 17658
页数:11
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