Abstract
Abstract
SF6/N2 mixture is an alternative gas of SF6, which is already used in electrical equipment. When a malfunction occurs , SF6/N2 will decompose and further react with trace water and oxygen to produce nitrogen-containing gases such as NO, NO2, N2O and NF3. It is necessary to monitor these gases to ensure the safe operation of the equipment. This paper is based on density functional theory (DFT), the nanomaterial Ti3C2T
x
doped with Au atom was selected as sensing material. The result shows that Au/Ti3C2T
x
has larger adsorption energy when NO and NO2 adsorbed on the surface, the stable structures were conformed more easily with NO and NO2 compared with N2O and NF3. The density of states analysis and the frontier molecule orbital analysis reveal more change of the system before and after NO and NO2 adsorption, suggesting the material showed good sensitivity performance to NO and NO2. Thus, Au/Ti3C2T
x
is considered to have the potential for sensing NO and NO2.
Funder
National Natural Science Foundation of China
Hubei Science Fund for Distinguished Young Scholars
Subject
Electrical and Electronic Engineering,Mechanical Engineering,Mechanics of Materials,General Materials Science,General Chemistry,Bioengineering