Citation: Yilin Cui, Zhongfu Li, Weikun Zhang, Yu Gao, Zhichao Dong, Conghua Liu. Sulfur vacancies boosting C₂H₄ selectivity of 2D/2D In_2.77S₄/CuInS₂ S-scheme heterojunction for CO₂ photoreduction[J]. Acta Physico-Chimica Sinica, ;2026, 42(7): 100274. doi: 10.1016/j.actphy.2026.100274 shu

Sulfur vacancies boosting C₂H₄ selectivity of 2D/2D In_2.77S₄/CuInS₂ S-scheme heterojunction for CO₂ photoreduction

Yilin Cui ^1,2,3 ,
Zhongfu Li ^1,2,3,, ,
Weikun Zhang ^1,2,3 ,
Yu Gao ⁴ ,
Zhichao Dong ^1,2,3,, ,
Conghua Liu ^1,2,3,,

1.
School of Materials Science and Engineering, Shandong University of Technology, Zibo 255000, Shandong Province, China;
2.
Shandong Collegial Engineering Research Center of Novel Rare Earth Catalysis Materials (CREC), Zibo 255000, Shandong Province, China;
3.
Discipline and Technology Center for High Temperature Functional Ceramics, Zibo 255000, Shandong Province, China;
4.
School of Mathematics and Physics, Yibin University, Yibin 644000, Sichuan Province, China

Corresponding author: Zhongfu Li, Zhichao Dong, Conghua Liu,
Received Date: 30 January 2026
Revised Date: 28 February 2026
Accepted Date: 1 March 2026

Converting CO₂ into multi-carbon hydrocarbons through artificial photosynthesis remains challenging due to sluggish C-C coupling dynamics and complex multi-electron processes. In this study, ultrathin In_2.77S₄/CuInS₂ heterojunctions with abundant sulfur vacancies (S_V) were synthesized via a one-step hydrothermal method. The S-scheme charge-transfer mechanism, driven by the built-in electric field, was confirmed through in situ X-ray photoelectron spectroscopy (XPS), femtosecond transient absorption spectroscopy (fs-TAS) and photoelectrochemical characterization. This S-scheme heterojunction not only enhanced the separation efficiency of photogenerated charge carriers but also maintained excellent reduction capability, enabling CO₂ photoreduction to C₂ hydrocarbons. Furthermore, experimental results and density functional theory (DFT) calculations demonstrated that S_V shortened the Cu-In active site distance, optimized the local charge density and lowered the energy barrier for critical dimer formation (*CHOCO), thereby accelerating the C-C coupling kinetics. Finally, the In_2.77S₄/CuInS₂-4 catalyst exhibited excellent yield (47.2 μmol g^-1 h^-1) and selectivity (99.1%) of C₂H₄, which attributed to the synergistic effect of efficient carrier rectification by the S scheme heterojunction and optimized C-C coupling dynamics facilitated by SV. Furthermore, isotope labeling confirmed CO₂ as the sole carbon source for the reaction. Overall, this “sulfur vacancy-heterojunction” strategy for CO₂ photoreduction to C₂H₄ with superior electron selectivity offers valuable insights into CO₂ utilization.
- S-scheme,
- Photocatalysts,
- C₂H₄,
- CO₂ reduction,
- In_2.77S₄/CuInS₂
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Sulfur vacancies boosting C2H4 selectivity of 2D/2D In2.77S4/CuInS2 S-scheme heterojunction for CO2 photoreduction

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通讯作者: 陈斌, bchen63@163.com

Sulfur vacancies boosting C₂H₄ selectivity of 2D/2D In_2.77S₄/CuInS₂ S-scheme heterojunction for CO₂ photoreduction