Enhanced photoelectrochemical water splitting resulting from full-dimensional carrier behavior optimization of ZnIn2S4-based dimorphic homojunction

Zhichao Hao, Xianghui Meng, Ruikai Wang, Lexiao Qu, Xinzheng Liu, Xu Sun, Haiyan Li, Chenghui Xia, Bohua Dong and Lixin Cao

Renewable Energy, 2025, vol. 248, issue C

Abstract: Optimizing carrier separation efficiency (8.78 %) and energy barrier of rate-determining step (RDS, 0.96 eV) are critical for advancing solar-driven hydrogen production through ZnIn2S4 photoanodes in carbon-neutral energy cycles. Hexagonal/cubic ZnIn2S4 (hZIS/cZIS) monomorphic homojunctions demonstrate improved photoelectrochemical performance, yet insufficient electronic regulation limits further optimization. This work presents a dual-phase engineering strategy through crystal-phase hybridization and ion doping to construct Zr:hZIS/Ni:cZIS dimorphic homojunctions. Systematic characterization reveals detailed modification mechanisms: (1) Strengthened interfacial electric field with expanded work function difference (0.53 eV vs. 0.29 eV in hZIS/cZIS) of components, elevating carrier separation efficiency to 28.40 %; (2) Surface state reconstruction enables carrier injection efficiency to 43.84 % through accelerated charge transfer; (3) Reduced RDS energy barrier (0.73 eV vs. 0.86 eV in hZIS/cZIS); (4) Broadened light absorption extending to 530 nm. The weakened electron localization across dimensions further enhances charge transfer kinetics. Consequently, photocurrent density of 0.98 mA/cm2 is achieved by Zr:hZIS/Ni:cZIS that is 6.53 and 2.80 times higher than that of hZIS and hZIS/cZIS, respectively. This approach overcomes limitations of fixed band structures and Fermi-level pinning in traditional composite systems, providing new insights into multidimensional material engineering for sustainable energy conversion.

Keywords: Carrier separation efficiency; ZnIn2S4; Interfacial electric field; Dimorphic homojunctions; Accelerated charge transfer (search for similar items in EconPapers)
Date: 2025
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Persistent link: https://EconPapers.repec.org/RePEc:eee:renene:v:248:y:2025:i:c:s0960148125007657

DOI: 10.1016/j.renene.2025.123103

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