fig5

N-heterocyclic carbene coordinated single atom catalysts on C<sub>2</sub>N for enhanced nitrogen reduction

Figure 5. (A) Second and third step screening results of TM@C2N-NCM, based on the ΔG for *N2 → *NNH and *NH2 → *NH3. The yellow-shaded region in the lower-left contains the materials that passed both criteria; (B) Close-up view of the yellow-shaded region. TM@C2N-NCM: Transition metals into a two-dimensional C2N-based nanomaterial.

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