First-principles study on the adsorption properties of CuO-doped C3N to the decomposition components of C5F10O
C5F10O has been put into practical application as a new environmental protection insulating gas that can replace SF6.Partial discharge and other faults will inevitably occur in the insulation equipment,resulting in the decomposition of C5F10O to produce harmful components such as weak insulation CF4,C2F6 and highly toxic CF2O,HF,etc.In order to ensure the safe operation of insulation equipment,these decomposition components need to be selectively removed by adsorption.The new graphene-like C3N material has a good application pros-pect in the field of gas detection.In this paper,the adsorption process of CuO-C3N on the main decomposition components CF4,C2F6 and highly toxic products CF2O and HF is calculated based on the first-principle.The adsorption energy,density of states,charge transfer amount,differential charge density and recovery time at dif-ferent ambient temperatures are calculated and analyzed.The results show that CuO-C3N has good adsorption for HF,followed by CF2O,but it can not adsorb CF4 and C2F6.Therefore,CuO-C3N can be used as a high-performance gas adsorbent to remove the highly toxic HF gas in C5F10O insulation equipment.
CuO-doped C3NAdsorption propertiesDecomposition components of C5F10OFirst-principlesHF
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