fig9

Figure 9. (A) Schematic illustrations of hybridization interactions between the boron p-orbital of Mo₂B and the π*-orbital of the N₂ molecule; (B) Correlation between p_z-orbital filling with ICOHP and adsorption energy of N₂^[175]; (C) Schematic illustrations of single-boron sites confined in antiperovskite borides for NRR^[176]; (D) Schematic illustration of the synthesis of nanoporous intermetallic Pd₃Bi^[180]; (E) The SEM image of nanoporous Pd₃Bi; (F) schematic illustration of the NRR process on Pd₃Bi.