Adsorption and sensing mechanisms of Ni-doped PtTe₂ monolayer upon NO₂ and O₃ in air-insulated switchgears.

ABSTRACT: Under partial discharge, air would be converted into O₃ and NO₂ in air-insulated switchgears, therefore, the detection of such two gases can be used to evaluate the operation status of such electrical equipment. In this study, first-principles simulations are implemented to investigate the Ni-doping behavior on the pristine PtTe₂ monolayer, and the adsorption and sensing performances of the Ni-doped PtTe₂ (Ni-PtTe₂) monolayer upon O₃ and NO₂ in air-insulated switchgears. The formation energy (E_form) of Ni-doping on the PtTe₂ surface was calculated to be -0.55 eV, which indicates the exothermicity and spontaneity of the Ni-doping process. Strong interactions occurred in the O₃

SUBMITTER: Xu Z 

PROVIDER: S-EPMC10267950 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature