MoS2/Phosphorene Heterostructure for Optical Absorption in Visible Region

Optoelectronic properties of van der Waals heterostructure of pristine phosphorene (P) with monolayer MoS
₂
is investigated using density functional theory. The results suggest that the individual MoS
₂
and phosphorene have high absorption in some portion of visible region (~390-430 nm) and in the entire infrared region, respectively. The heterostructure of MoS
₂
/P results into redshift phenomenon, where the absorption coefficient is increased with the wavelength or in other words, shifted to the red end of the spectrum. High absorption is also observed in the entire visible region (λ ~410 to 780 nm) of the spectrum for MoS
₂
/P heterostructure. This appealing absorption rate in the desired range may find many potential applications in the fabrication of optoelectronic devices. Dielectric constant and refractive index of the heterostructure is also calculated and it is found that absorption closely follows the trends of dielectric constant. Moreover, it is found that the resultant heterostructure of MoS
₂
/P has Type-II band alignment which is ideal for solar energy conversion as well as optoelectronic applications.