2022
DOI: 10.1016/j.apsusc.2021.151377
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The promotion of sulfuric vacancy in two-dimensional molybdenum disulfide on the sensing performance of SF6 decomposition components

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Cited by 12 publications
(7 citation statements)
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“…Based on the DFT method, the construction and calculation of the model in this study are all in DMol3 and CASTEP codes of the Materials Studio software [33][34][35][36]. In order to avoid the interference of adjacent units, a 15 Å vacuum layer was constructed.…”
Section: Computational Detailsmentioning
confidence: 99%
“…Based on the DFT method, the construction and calculation of the model in this study are all in DMol3 and CASTEP codes of the Materials Studio software [33][34][35][36]. In order to avoid the interference of adjacent units, a 15 Å vacuum layer was constructed.…”
Section: Computational Detailsmentioning
confidence: 99%
“…[13][14][15][16] At present, there are relatively few studies on the detection of SF 6 decomposition products by semiconductor sensors. [17][18][19][20][21][22] Chen et al used rstprinciples to study the adsorption properties of Cu atom-modied hexagonal InN for four typical SF 6 decomposition products. 23 The results show that the Cu modied InN exhibited an enhanced adsorption of SO 2 , SOF 2 , and SO 2 F 2 gas molecules on the surface of InN.…”
Section: Introductionmentioning
confidence: 99%
“…Many previous studies on gas adsorption that cannot be completed due to complex experimental conditions can carry out theoretical simulation through these technologies to better understand the properties of materials and many complex chemical reaction mechanisms. Based on the first-principles density-functional theory, the electronic properties and microscopic mechanism of gas sensing materials can be obtained, and, on this basis, the macroscopic physical and chemical properties of gas-sensing materials can be deduced [35][36][37][38][39][40][41][42].…”
Section: Introductionmentioning
confidence: 99%