fig6
Figure 6. (A) Optimized structure models and Bader charge analysis of ZIF-67 and Mn-ZIF-67. (B) Calculated density of states and d-band centers for ZIF-67 and Mn-ZIF-67. (C) Optimized CoOOH and Mn-doped CoOOH reconstructed active-surface models and the corresponding Gibbs free-energy diagrams for the OER pathway at zero potential. OER: Oxygen evolution reaction; ZIF-67: zeolitic imidazolate framework-67.
