Theoretical study of rhodium doped single walled carbon nanotube to detecting NF3: a first principle study

Abstract The gas sensing properties of Rh doped single walled carbon nanotube to NF3, one of the key decomposition gas production of SF6/N2 gas mixtures, are explored based on density functional theory in this paper. The results suggest that the process of NF3 adsorbing on Rh-SWCNT is exothermic, and the F adsorption mode are probably the best mode for NF3 adsorbing on Rh-SWCNT. Rh-SWCNT surface has a nice gas sensing upon NF3 gas. All the works provide a theoretical adsorption information of Rh-SWCNT as gas sensor material for the detection of NF3 in the application of condition monitoring and defect diagnosis in SF6/N2 gas mixtures insulated equipment based on decomposition components.