Electronic Properties of van der Waals Heterostructure of Black Phosphorus and MoS2

Combining two different layered structures to form van der Waals (vdW) heterostructure has recently emerged as an intriguing way of designing electronic and optoelectronic devices. Using first-principles calculation, the electronic and optoelectronic properties of the black phosphorus and MoS2 (BP/MoS2) heterostructure were investigated and the results give a theoretical explanation of the reported high photodetection responsivity. Linear dichroism and the carrier mobility of the heterostructure were calculated to be preserved compared to that of free BP. The carrier transport performance is expected to be enhanced in practical applications by the predicted synergistic effect. Our work demonstrates that by combing BP with monolayer MoS2, outstanding electronic and optoelectronic attributes can be achieved, which may shed light on the electronics and optoelectronics applications of the BP/MoS2 heterostructure.