The development of low−cost and high−efficiency single atom catalysts (SACs) is essential for catalyzing nitrogen reduction reactions (NRR) under ambient conditions. Current SACs suffer from low selectivity and poor activity,...

The behavior of single-atom catalysts on a CN monolayer in nitrogen reduction reactions (NRRs) has been studied, the figure shows the free energy change of potential determining step of NRR on various single metal atoms supported on CN monolayer.

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Electrocatalytic nitrogen reduction reaction (NRR) is considered to be the most desirable strategy for ammonia production, but still faces many challenges in terms of high activity and high selectivity. Based...

Based on the density functional theory computation, a series of transition metal atoms anchored on phthalo−carbonitride (pc−C3N2) nanosheet have been investigated for the nitrogen reduction reaction (NRR). The results show...