Abstract
Based on the first-principles of density functional theory, the SF6 decomposition products including single molecule (SO2F2, SOF2, SO2), double homogenous molecules (2SO2F2, 2SOF2, 2SO2) and double hetero molecules (SO2 and SOF2, SO2 and SO2F2, SOF2 and SO2F2) adsorbed on Pt doped graphene were discussed. The adsorption parameters, electron transfer, electronic properties and energy gap was investigated. The adsorption of SO2, SOF2 and SO2F2 on the surface of Pt-doped graphene was a strong chemisorption process. The intensity of chemical interactions between the molecule and the Pt-graphene for the above three molecules was SO2F2 > SOF2 > SO2. The change of energy gap was also studied and according to the value of energy gap, the conductivity of Pt-graphene before and after adsorbing different gas molecules can be evaluated.
Highlights
SF6 gas has been widely used in gas insulated switch-gear (GIS) because of its excellent insulation and arc extinguishing performance but long-term operation experience shows that different degrees of partial discharge (PD) will occur in GIS equipment due to inherent defects or some new insulation problems [1,2,3,4]
The basis set chosen for this study was the double numerical plus polarization (DNP) and considering that Pt is a heavy element, the DFT semi-core pseudopotential (DSSP) was selected
Compared with SO2, the Eads for single SOF2 adsorption was slightly smaller, but the QT was slightly larger and the Eg was slightly higher, which proved that SOF2 brings the smallest chemical interactions but still leads to the decrease of the conductivity
Summary
SF6 gas has been widely used in gas insulated switch-gear (GIS) because of its excellent insulation and arc extinguishing performance but long-term operation experience shows that different degrees of partial discharge (PD) will occur in GIS equipment due to inherent defects or some new insulation problems [1,2,3,4]. With the increase of running time, these defects develop further, which may eventually lead to serious insulation problems of GIS equipment, resulting in irreparable losses. Many scholars have shown that by detecting the content of these characteristic decomposition products, the severity of insulation defects in GIS can be judged to a certain extent, and insulation accidents can be prevented.
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