Tunable electronic and optical properties of the MoTe 2 /black phosphorene van der Waals heterostructure: a first-principles study

) and a broader absorption wavelength range. Furthermore, we have shown that the band alignments of the heterojunction can be adjusted by applying biaxial strain, introducing an external electric field, and altering the interlayer spacing. These adjustments enable a type-I to type-II band alignment and semiconductor-metal transitions. With increasing the interlayer spacing and applied tensile stress, the absorption intensity in the UV-vis range gradually decreases. Interestingly, the external electric field shows minimal impact on the absorption intensity. This study offers an insightful theoretical direction for the prospective use of novel 2D van der Waals heterostructures in various fields, including solar cells and photodetectors.