fig5

Figure 5. (A) Schematic depiction of the catalytic function of PtN₄, PtN₄@Pt nanoclusters and Pt nanoclusters in the ORR process. Reproduced with permission^[67]. Copyright 2024, American Chemical Society. (B) ORR free energy diagrams for PtN₄ (redline), PtN₄@Pt₆ nanoclusters (yellow line), PtN₄@Pt₁₃ nanoclusters (green line), PtN₄@Pt₃₈ nanoclusters (blue line), and Pt nanoclusters (black line) at U = 0.9 and U = 1.23 V along 4e^- pathway. Reproduced with permission^[67]. Copyright 2024, American Chemical Society. (C) Total state of density of FeN₄ and FeN₄@Fe₇ nanoclusters. Reproduced with permission^[61]. Copyright 2024, John Wiley and Sons. (D) Projected density of states of FeN₄@Fe₇ nanoclusters and FeN₄. Reproduced with permission^[61]. Copyright 2024, John Wiley and Sons. (E) Projected density of states of FeN₄ and FeN₄@Co₄ nanoclusters on the d-band of Fe-N₄ site. Reproduced with permission^[69]. Copyright 2024, John Wiley and Sons. (F) The results of calculated charge density difference for FeN₄@PtFe nanoalloys. Yellow area: electrostatic charge density is positive; cyan area: electrostatic charge density is negative. Reproduced with permission^[66]. Copyright 2024, John Wiley and Sons.