fig4

N-heterocyclic carbene coordinated single atom catalysts on C<sub>2</sub>N 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 Fe@C2N-NCM and Nb@C2N-NCM. NCM: N-heterocyclic carbene nanomaterial; PDOS: Projected density of states.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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