Abstract
We systematically study the structural, electronic and optical properties of MoSe2/SnS2 van der Waals heterojunctions and the effect of interlayer distance, in-plain biaxial strain and external electric field on them. The results show that AA stacking is more energetically preferred and it has a broad optical absorption spectrum from near-infrared to ultraviolet region. The electronic properties of MoSe2/SnS2 heterojunctions are insensitive to interlayer distance and always maintain type-II band alignment, which is advantageous for the separation of holes and electrons. Also, type-I, type-II and type-III band alignment can be achieved under different electric field and in-plain biaxial strain, thereby expanding the application range of the MoSe2/SnS2 heterojunctions.
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