Optical and electronic bandgap manipulation behaviors of MoS2/TaSe2 van der Waals heterostructures: Experiment and theory

Abstract The optical bandgap manipulation engineering of two-dimensional (2D) semiconductor heterostructure plays an important role in the development of optoelectronics and nanoelectronics. In this work, the photoluminescence (PL) peak of the MoS2/TaSe2 heterostructure is slightly red-shifted compared with that of MoS2. The result is explained by the electron transfer from TaSe2 to MoS2, which is theoretically calculated to be about 0.00405 e. Furthermore, the experimental and theoretical results show that the work function of the heterostructure is less than that of the MoS2. The present study promises for exploring the potential tunable optical bandgap optoelectronic devices.