fig8
Figure 8. (A) Bader charge transfer and magnetic moments of Co sites coupled with different local structures. Reproduced with permission[111]. Copyright 2023, American Chemical Society. (B) Reconfiguration of spin state in the Co center with a high magnetic moment. Reproduced with permission[111]. Copyright 2023, American Chemical Society. (C) 2D volcano plot of ηORRvs. ICOHP of Co-O bonds between Co sites and OH* species. Reproduced with permission[111]. Copyright 2023, American Chemical Society. (D) Schematic diagram of FeN4 with P-O bond in different outer shells. Reproduced with permission[112]. Copyright 2023, American Chemical Society. (E) Top: Contour plots showing the charge density difference after *OOH adsorption; bottom: differential charge densities upon *OOH adsorption. Reproduced with permission[112]. Copyright 2023, American Chemical Society. (F) Schematic illustration of selectivity shift and active site shift after the decoration of C-O-C groups. Reproduced with permission[113]. Copyright 2021, American Chemical Society. (G) LSV curves for Co-N-C with C-O-C groups before and after the addition of 10 mM KSCN. Reproduced with permission[113]. Copyright 2021, American Chemical Society. (H)In situ ATR-SEIRAS spectra of Co-N-C with C-O-C groups and the comparison of the band around 1220 cm-1 for Co-N-C with C-O-C groups and Co-N-C. Reproduced with permission[113]. Copyright 2021, American Chemical Society.