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- W4303444759 abstract "The role of two dimensional heterostructures in clean hydrogen production through photocatalytic water splitting has been paid enormous attention. Herein, we report a heterostructure of transition metal dichalcogenide monolayer MoX 2 where X-S,Se and graphene-like zinc oxide (g-ZnO). The structural,electronic and optical properties have been investigated using density functional theory(DFT). MoS 2 /ZnO shows type-II band alignment with indirect bandgap of 1.61eV, a significant in-built potential of 7.42eV and a valence band offset of 1.23eV across the interface while MoSe 2 /ZnO HS shows type-I band alignment with direct bandgap of 1.80eV, in-built potential of 3.64eV and a valence band offset of 0.34eV. Band-gap value and band-edge positions proved these heterostructures to be promising candidates for water splitting and evolution of Hydrogen using solar energy. The results suggest the possibility of using 2D MoX 2 /ZnO heterostructure as potential photocatalysts for straddling the redox potentials of water over a wide range, from ultraviolet to infrared spectra. The photogenerated charge carriers in the MoS 2 /ZnO heterostructure are localized in different layers and can efficiently generate hydrogen energy by photocatalytic water splitting. However, the band-edge positions in MoSe 2 /ZnO are more suitable for pH=8 making it promising photocatalyst for large scale hydrogen production from solar energy." @default.
- W4303444759 created "2022-10-07" @default.
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- W4303444759 date "2022-12-01" @default.
- W4303444759 modified "2023-10-18" @default.
- W4303444759 title "Hydrogen production from water using MoX2/ZnO (X:S,Se) heterostructures as photocatalysts" @default.
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- W4303444759 doi "https://doi.org/10.1016/j.mtsust.2022.100248" @default.
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