Fig. 4: Catalytic mechanism and structural insights for SC-COFTSA in the ORR.

a Electrostatic potential (ESP) maps of the COFTSA, COFTAZ and COFPh. b LUMO-HOMO of COFTSA, COFTAZ and COFPh. c Reaction mechanism of 2e− ORR and 4e− ORR. d Free energy diagrams for the 2e− ORR pathway. e Calculated activity-volcano curve for 2e− ORR. f In-situ ATR-FTIR spectra of SC-COFTSA under different potentials.