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Overcoming interfacial charge transfer limitations in Zn1–xCdxSe photocatalysts via interface engineering for boosted photocatalytic hydrogen evolution

Zhiming Pan, Xingdian Zhu, Qiqi Sun, Mingyang Qie, Zhi-An Lan, Lihua Lin

https://doi.org/10.1016/j.cjsc.2026.101126

Photocatalytic water splitting; Zn1-xCdxSe solid solutions; NiSe2 electron transport layer; Hydrogen evolution; Interface engineering

ABSTRACT

Zn1-xCdxSe solid solutions are promising narrow-bandgap semiconductors for visible-light-driven water splitting due to their tunable bandgap and suitable band-edge positions; however, their practical application is limited by poor charge separation and slow interfacial kinetics. Although loading Pt cocatalysts can enhance hydrogen evolution activity, direct integration of Pt with Zn1-xCdxSe suffers from energy-level mismatch and unfavorable interfacial contact, leading to inefficient charge extraction and severe carrier recombination. Herein, we introduce NiSe2 as an efficient electron transport layer to address these interfacial limitations in Pt-loaded Zn0.7Cd0.3Se (Pt/ZCS). Band structure analysis reveals that NiSe2 effectively reduces the work function offset between Pt and ZCS, thereby lowering the charge transfer barrier. Carrier dynamics further demonstrate that the NiSe2 interlayer not only establishes an efficient electron transfer highway from ZCS to Pt but also reduces the overpotential for water reduction. Consequently, the NiSe2-modified Pt/ZCS photocatalyst achieves a remarkable hydrogen evolution rate under visible-light irradiation, outperforming pristine ZCS, Ni1.5-ZCS, and Pt/ZCS by factors of 97, 5.8, and 3.6, respectively. This work underscores the critical role of electron transport layer engineering in overcoming interfacial charge transfer bottlenecks, offering a generalizable strategy for designing high-performance photocatalysts for solar-driven water splitting.


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