Abstract
We investigate the effect of different contact interfaces on the electronic and optical characteristics of the SiC2/MoSSe heterojunction. It is found that SiC2/MoSSe(S) heterojunction is an indirect band gap semiconductor with type II band alignment. The SiC2/MoSSe (Se) heterojunction is a direct band gap semiconductor with a type Ⅰ band alignment. The difference in electronic properties between the two heterostructures comes from the different orientations of the intrinsic electric field of Janus MoSSe in the heterojunction. The band gap and energy band alignment are modulated under the applied electric field. Moreover, the optical properties of SiC2/MoSSe (Se) are better than the SiC2/MoSSe(S), and the applied electric field can improve the optical properties of the heterojunction. The results provide a potential way for efficient photovoltaic materials.
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