fig4

Figure 4. (A) Summary diagram of ORR overpotential for TM atom-doped different carbon-based carriers; (B) The volcano plot of $$ \Delta G_{OH^{\ast}} $$. The blue regions indicate strong binding energy of OH^*; red dashed lines represent overpotential of Pt (111). Copyright 2021, Springer Nature, Reproduced with permission^[80]; (C and D) The first step of NRR screening results is to evaluate the performance of SACs supported on B-1 for N₂ fixation and conversion to N₂H; (E) The second step screening results of SAC supported on B-1 for NRR based on its NH₂-to-NH₃ formation and desorption performance; (F) Adsorption free energy diagram of H and N₂ on ten selected candidates, with white regions indicating NRR selectivity. Copyright 2022, Elsevier, Reproduced with permission^[81]; (G) The structure of TM@T-C₂N; (H) 3D screening diagram illustrating three types of free energies; (I) Schematic representation of a screening framework for identifying potential NO₃RR catalysts. Copyright 2024, Elsevier, Reproduced with permission^[82]. ORR: Oxygen reduction reaction; NRR: nitrogen reduction reaction; SACs: single-atom catalysts.