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- W3208833125 abstract "Janus MoSSe monolayer with built-in electric dipole, as another emerging two-dimensional (2D) material after MoS2, is predicted to be an ideal photocatalyst for overall water splitting. However, in spite of the excellent hydrogen evolution reaction (HER) activity of Se-surface, the extremely poor oxygen evolution reaction (OER) activity of S-surface hinders the achievement of photocatalytic overall water splitting. Herein, we construct a new 2D van der Waals heterostructure consisting of high-OER-active black phosphorus (BP) and Janus MoSSe monolayer, and demonstrate a new strategy of Janus BP/SMoSe heterostructure to achieve wide-spectral-responsive photocatalytic overall water splitting. The electronic structures and optical properties of two different heterostructures, BP/SMoSe and BP/SeMoS, are systematically investigated via first principles density, exhibiting a type-II band arrangement. Unlike BP/SeMoS, the BP/SMoSe heterostructure shows excellent optical properties, such as a large dielectric constant of 8.14 and a small optical absorption boundary of 0.10 eV. Furthermore, BP/SMoSe heterostructure possesses greater light absorption intensity and a broader light absorption range. It is found that the BP/SMoSe heterostructure exhibits proper band alignment and enhanced intrinsic dipole, which is favorable to obtain high electron-hole separation efficiency. This work provides a feasible strategy of 2D Janus BP/SMoSe heterostructure for approaching almost perfect overall water-splitting photocatalysis." @default.
- W3208833125 created "2021-11-08" @default.
- W3208833125 creator A5008268378 @default.
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- W3208833125 creator A5063253432 @default.
- W3208833125 date "2021-11-01" @default.
- W3208833125 modified "2023-09-27" @default.
- W3208833125 title "Constructing a new 2D Janus black phosphorus/SMoSe heterostructure for spontaneous wide-spectral-responsive photocatalytic overall water splitting" @default.
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- W3208833125 doi "https://doi.org/10.1016/j.ijhydene.2021.09.141" @default.
- W3208833125 hasPublicationYear "2021" @default.
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