Abstract
In the density functional theory framework, the geometric stableness and electronic properties of square-octagon arsenene nanosheet (O-AsNS) are studied. The O-AsNS shows semiconductor nature with a bandgap of 1.348 eV. The O-AsNS is used as a base material to adsorb M-xylene and toluene vapours. The adsorption energy shows the physisorption of M-xylene and toluene on O-AsNS. Furthermore, the charge transfer, electron density, and bandgap variations of O-AsNS clearly support the chemi-resistive nature of O-AsNS. Besides, the band structure and projected density of states mapping disclose the change in the electronic properties of O-AsNS owing to M-xylene and toluene adsorption. Thus, the result reveals that O-AsNS can be deployed as a chemosensor for the detection of M-xylene and toluene vapours.
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