fig3

Figure 3. (A) Diagram illustrating the control of size and shape in CZS nanocrystals; (B) Energy level schematic of photogenerated carriers in CZS nanocrystals of varying sizes, along with the mechanism for photocatalytic toluene oxidation; (C) Conversion rate of toluene over CZS nanocrystals with different sizes and morphologies. Reproduced with permission, Copyright 2023, American Chemical Society^[133]; (D) Cs₁₂Bi₁₄Br₅₄ cluster derived from crystal structure of CBB; (E) Optimized Cs₁₂Bi₁₄Br₅₄ cluster at the PBE-D3/def2-svp level; (F) Optimized geometry of the Cs₁₂Bi₁₄Br₅₄ cluster incorporating 17 toluene molecules; (G) Focus on a representative Br−H geometry; (H) Photocatalytic toluene oxidation over various photocatalysts; (I) Time-dependent toluene photooxidation over 10 wt % CBB/SBA-15 composite photocatalyst. Copyright 2020, Wiley-VCH^[134]. CZS: Cs₄ZnSb₂Cl₁₂; CBB: Cs₃Bi₂Br₉; PBE: Perdew-Burke-Ernzerhof.