Due to mirror symmetry breaking, two-dimensional Janus transition metal dichalcogenides $MXY$ ($M=\text{Mo,W}$; $X,Y=\text{S,Se,Te}$) present charming electronic properties. However, there have not been many related studies as of yet, and the intrinsic physical pictures are unclear. Here, we use first-principles calculations to explore the universality of electronic characteristics and photocatalyst applications of Janus $MXY$, finding that the induced dipole moment, vibrational frequency, Rashba parameters, and direct-indirect band transition of monolayer $MXY$ are deeply associated with the atomic radius and electronegativity differences of chalcogen $X$ and $Y$ elements. The internal electric field renders Janus $MXY$ the ideal photocatalysts. Moreover, the stacking-dependent on/off switch of the dipole moment further confirms that asymmetric Janus $MXY$ serves as a promising candidate for highly efficient photocatalysts within a broad range from infrared, visible, to ultraviolet light.

Type-II band alignment, a suitable direct gap (1.519 eV), superior optical-absorption (∼10 ⁵ ) and a broad spectrum make the GeSe/SnS heterobilayer a promising material for photovoltaic applications.

Recently, constructing van der Waals (vdW) heterojunctions by stacking different two-dimensional (2D) materials has been considered to be effective strategy to obtain the desired properties. Here, through first-principles calculations, we find theoretically that the 2D $n$-InSe/$p$-GeSe(SnS) vdW heterojunctions are the direct-band-gap semiconductor with typical type-II band alignment, facilitating the effective separation of photogenerated electron and hole pairs. Moreover, they possess the high optical absorption strength ($\sim {10}^5$), broad spectrum width, and excellent carrier mobility ($\sim {10}^3\mathrm{c}{\mathrm{m}}^2{\mathrm{V}}^{-1}{\mathrm{s}}^{-1}$). Interestingly, under the influences of the interlayer coupling and external electric field, the characteristics of type-II band alignment is robust, while the band-gap values and band offset are tunable. These results indicate that 2D $n$-InSe/$p$-GeSe(SnS) heterojunctions possess excellent optoelectronic and transport properties, and thus can become good candidates for next-generation optoelectronic nanodevices.