Abstract
In the recent work, the structural, electronic and optical properties of the 2D van der Waals heterostructure As/PtS2 have been studied within the framework of the first-principles calculations. In the electronic properties, the band-structure and projected density of the van der Waals(vdW) heterostructure As/PtS2 have been systematically examined. The heterostructure As/PtS2 exhibits semiconducting nature with reduced electronic bandgap in comparison with pristine monolayer As and monolayer PtS2. The optical properties of heterostructure As/PtS2 have been also investigated thoroughly. From the present investigation, the heterostructure As/PtS2 is suggested as promising material for the optoelectronic applications at nano-scale.
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