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Updated: Aug 29, 2025
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TiO2/CsPbBr3 S-scheme heterojunctions with highly improved CO2 photoreduction activity through facet-induced Fermi
Lanxin Wang1, Jinyu Qiu1, Nan Wu1
1Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, 100083 Beijing, China.
Abstract:
Photocatalytic CO2 reduction is a promising method to resolve the energy shortage problem. Developing photocatalysts with strong redox capabilities is urgently needed to achieve high photocatalytic activity. Herein, we synthesized TiO2/CsPbBr3 S-scheme heterojunctions with modulated internal electric field by facet engineering of TiO2 to control charge transfer for improved photocatalytic activity. Density functional theory (DFT) calculation reveals that there is a wider Fermi level difference between TiO2-(101) and CsPbBr3 than that between TiO2-(001) and CsPbBr3, which will induce more obvious band bending. Subsequently, more efficient spatial separation will occur around the interface. Thus, TiO2-(101)/CsPbBr3 heterostructures effectively reduce CO2 into CO with the selectivity of 90.2 % and reduction rate of 12.5 μmol h-1, 15.6 and 5.6 times improvement than that of 101-TiO2 and TiO2-(001)/CsPbBr3, respectively. This report proposes a feasible idea of employing facet engineering to take the advantage of S-scheme heterojunction.
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