Monodentate Binding of Zwitterionic Ligands to CsPbBr<sub>3</sub> Perovskite Nanocrystals for Enhanced Photocatalytic H<sub>2</sub> Production
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CsPbBr3 perovskite nanocrystals (PNCs) are promising photocatalyst due to their excellent optical properties. However, they exhibit poor stability due to dynamic binding of surface ligands. This study proposes post-synthetic ligand exchange method using zwitterionic sulfobetaine (ZSB) ligands in solution to improve photocatalytic H2 Production. After ligand exchange, the positively charged end of ZSB selectively binds to the Br-rich surface, leaving the negatively charged end facing outward, resulting in a negative surface potential. This monodentate binding of ZSB causes a band-edge shift, reducing the electron transfer barrier at the junction with the co-catalyst, Pt-deposited TiO2 (Pt-TiO2). Consequently, electron transfer rates at the heterojunction between ZSB-capped CsPbBr3 PNCs and Pt-TiO2 increase. The resulting photocatalysts exhibit enhanced H2 production rates and long-term photocatalytic stability.