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Through theoretical calculations, we report the remarkably high catalytic activity and excellent selectivity of Mo-doped Pc-TFPN COF for the N 2  fixation and reduction reaction under ambient conditions.

Photo-assisted high performance single atom electrocatalysis of the N2 reduction reaction by a Mo-embedded covalent organic framework

Photo-assisted high performance single atom electrocatalysis of the N₂ reduction reaction by a Mo-embedded covalent organic framework