| Cite this article as: Dai Zhuo-Ni,Sheng Wei,Xu Ying. Z-scheme InN/SnS2 van der Waals heterojunction increases photocatalytic overall water splitting [J]. J. At. Mol. Phys.(原子与分子物理学报), 2024, 41: 061001 (in Chinese) |
| Z-scheme InN/SnS2 van der Waals heterojunction increases photocatalytic overall water splitting |
| Hits 503 Download times 53 Received:March 15, 2023 Revised:April 03, 2023 |
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| Key Words
First-Principles, Water splitting, Direct Z-scheme heterojunction, photocatalysis |
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| Abstract
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| Finding an efficient photocatalyst to decompose water into hydrogen is one of the effective ways to solve the energy crisis and environmental problems. For the InN/SnS2 heterojunction, the geometric property, the electronic structure and photocatalytic properties for water splitting are explored based on first-principles calculations. The results suggest that InN/SnS2 heterostructure is a type-II band alignment to effectively separate carriers. Under the light radiation, a narrow band gap and intrinsic electric field can accelerate the transfer of photogenerated carriers along the Z-shaped path, which preserves the strong redox ability of InN/SnS2 heterojunction. The photo-generated electrons on InN make the hydrogen evolution reaction happen continuously, while the photo-generated holes on SnS2 make the oxygen evolution reaction happen continuously. The band edge position of InN/SnS2 heterojunction can span the redox potential for the photocatalytic overall water splitting. Therefore, the results show that InN/SnS2 heterojunction is a potential direct Z-scheme photocatalyst for photocatalytic water splitting to produce hydrogen. |
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