Adsorption Behavior of Ni-Doped ZnO Monolayer upon SF₆ Decomposed Components and Effect of the Applied Electric Field.

ABSTRACT: In this article, Ni-doped ZnO (Ni-ZnO) monolayer is proposed as a potential sensing material for detection of two SF₆ decomposed components (namely, SO₂ and SOF₂), based on the density functional theory (DFT) method, to monitor the operation status of SF₆ insulation devices in the power system. The Ni-doping effect on the physicochemical properties of the pure ZnO monolayer is first studied, with the binding energy (E _b) calculated as -1.49 eV. Then, the adsorption of a Ni-ZnO monolayer upon SO₂ and SOF₂ molecules shows that the Ni-ZnO monolayer exhibits strong chemisorption upon the two gas species, with the adsorption energy (E _ad) obtained as -2.38 and -2.19 eV, respectively. The electr

SUBMITTER: Liu M 

PROVIDER: S-EPMC7513549 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature