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Construction and development of Z-scheme systems for solar-driven water splitting
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DOI：10.1016/j.ccr.2026.217794.png)
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Abstract
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One possible strategy for meeting the world's energy needs is the production of green hydrogen via photocatalytic water splitting (PWS). The Z-Scheme, a two-step photoexcitation mechanism, is a highly effective artificial photosynthesis method. This review highlights the recent advancements and significant potential of Z-Scheme systems in PWS. Starting from the fundamental principles of PWS, this review traces the developmental history of Z-Scheme, introduces the challenges and key issues faced by various Z-Scheme photosystems-particularly the optimization of electron mediators and the construction of interfaces. Subsequently, the charge transfer mechanism in Z-Scheme is explored from both experimental and theoretical methods, including in situ characterization, DFT calculations, molecular dynamics simulations, among others. Furthermore, an in-depth discussion is provided on how to enhance the efficiency of Z-Scheme, covering intrinsic modifications of photocatalysts, optimization of the photocatalytic systems and devices, as well as material predictions driven by machine learning (ML). Finally, an analysis and outlook are presented regarding the largescale practical applications of Z-Scheme for water splitting.
Keywords:
Photocatalytic water splitting
Z-Scheme photosystem
Charge transfer mechanism
Modification strategies
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