fig4
From: N-heterocyclic carbene coordinated single atom catalysts on C2N for enhanced nitrogen reduction
Figure 4. (A) The Charge density difference for Fe@C2N-NCM and (B) Nb@C2N-NCM, with yellow and blue regions representing electron accumulation and depletion, respectively. The isosurface level is set at 0.0003 e/Å3; (C, D) PDOS for N2 adsorption on