fig5

Figure 5. Electronic structure of Cr₁-B₂N₂/G catalysts. (A-C) The electrostatic potential (EP) of Cr₁-B₂N₂/G catalysts; (D-F) The partial density of states (PDOS) of Cr₁-B₂N₂/G catalysts; (G-I) The electron localization function (ELF) of Cr₁-B₂N₂/G catalysts.