Fig. 5. (a) Optimized geometrical structures and the electrostatic potential surfaces for model systems of Tf-TAPB-COF, Tf-TAPP-COF, Tf-TAPPM-COF, and Tf-TAPT-COF. (b) Proposed reaction mechanisms of photocatalytic H2O2 production for Tf-TAPT-COF. The grey, blue, and white spheres refer to C, N, and H, respectively.
