增强 g-C3N4@BN 范德华异质结界面上的三重态电子转移增强光催化合成 H2O2

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Abstract： The van der Waals heterojunctions demonstrate exceptional advantages due to their outstanding charge separation capabilities and remarkable flexibility in tuning electronic properties. This studyexplores the potential application of the 2D/2D g-C3N4 van der Waals heterojunction in the photocatalytic synthesis of hydrogen peroxide （H2O2） .Based on this heterojunction，we investigated the energy transfer process between triplet excitonsand singlet oxygen，emphasizingthe importanceofcatalyststructurefor chargeseparationandthestablegenerationoftripletelectrons.

Byconstructingachargetransferpathway，thebuilt-inelectricfieldwithintheheterojunctionefectivelydrivesthedirectional migratioofcharge cariers，significantly extending theirlifetime.Weemployed twomodificationstrategies toregulate the excited stateelectronic properties of thecatalyst，including adjusting the interlayerarrangement to enhance charge transportcapabilityand halogen modification toimprove the light responsiveness of materials.Experimental validation indicates that the representative chlorinated-CN@BN efectively suppresses exciton recombination compared to CN， extending the lifetime of excited-state carriers by 3.52 times. Furthermore，the photocatalytic yield of H2O2 is improved by 2.73times.This study provides atheoretical basis fordeveloping novelphotocatalysts andinspiresthedesign ofcatalysts for direct synthesis of H2O2 from oxygen.

Key Words：2D/2D heterojunction interface； Photocatalytic synthesisof H2O2 ； Triplet electron transfer; Energy transfer

摘要：范德华异质结因其优异的电荷分离能力和在调节电子特性方面的显著灵活性而展现出卓越优势。（剩余20503字）