Abstract
In this paper, the structure, electronic and optical properties of WSSe/MoSe2 and MoSe2/WSSe heterojunctions are studied by using density functional theory (DFT) and first principles. We find that WSSe/MoSe2 has high electron mobility (1131 cm2/Vs) and strong solar light absorption. It is worth noting that both WSSe/MoSe2 (17.0 %) and MoSe2/WSSe (14.3 %) have excellent power conversion efficiency (PCE), and the PCE of WSSe/MoSe2 is as high as 22.7 % through biaxial strain control, which can realize efficient optical energy conversion of optoelectronic devices. More interestingly, we have built the armchair WSSe/MoSe2 and MoSe2/WSSe self-powered optoelectronic detectors. Under the irradiation of linearly polarized light (LPL) and circularly polarized light (CPL), it is found that the photogalvanic effect photocurrent (Iph) will change sensitively with the polarization angle θ and photon energy, and the larger Iph be produced. This enhancement is of great significance to the design and development of self-powered optoelectronic detector.
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