Adsorption Behaviour of Toxic Carbon Disulfide and Trichloroethylene on Antimony Nitride Nanosheets: A DFT Study
摘要
Group VA-VA two-dimensional (2D) materials are employed in many potential applications owing to their unique physical and chemical properties. One such group VA-VA 2D material is β-antimony nitride (β-SbN) nanosheet. Initially, we established the structural firmness and dynamical stability of the β-SbN nanosheet. The electronic property of the proposed β-SbN is explored by band structure and projected density of states (PDOS) spectrum. The band gap of β-SbN is recorded to be 3.033 eV which reveals the semiconducting nature and it is more suitable for chemical sensors. We employed β-SbN as a sensing material to detect the presence of toxic carbon disulfide and trichloroethylene, which are emitted from leather industries. The interaction of these toxic pollutants leads to a change in the band gap of β-SbN. Further, the variation in the electronic characteristics of β-SbN upon the interaction of target pollutants is noticed with regard to electron density difference and charge transfer outcomes. The chemo-resistive behaviour of β-SbN is noticed from the relative band gap variation due to the adsorption of carbon disulfide and trichloroethylene. The findings indicate that β -SbN is a promising material for detecting target pollutants emitted by the leather industry.