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

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.