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First-principles prediction of a direct Z-scheme WSe2/HfS2 van der Waals heterostructure for overall photocatalytic water decomposition

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00267A, Paper
Yan Zhang, Zhi-Bo Qiang, Jian-Xin Ding, Kang-Xin Xie, Li Duan, Lei Ni
The direct Z-scheme heterostructures photocatalyst has been validated as an efficacious approach for addressing the energy source issues and environmental challenges. This manuscript employs the first-principles to scrutinize singular-layer WSe2...
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