The structural, electronic and optical properties of MoSSe, PbS (111) and MoSSe/PbS (111) have been studied by the first-principles calculations, and the effect of V(S)on electronic and optical properties of MoSSe/PbS (111). When PbS (111) is stacked on MoSSe, an internal electric field and ohmic contact are formed at interlayer, and exhibited metal property. Compared with MoSSe and PbS (111) monolayer, MoSSe/PbS (111) heterostructure has higher absorption coefficients. Further analysis shows that this can be attributed to the orbital hybridization between the heterostructure layers. When V(S)...
