Key points are not available for this paper at this time.
By first-principles computations, we investigated the electrocatalysis of transition metal atom-anchored C 2 N monolayers (TM x @C 2 N, x = 1 or 2) for N 2 fixation and proposed that Mo 2 @C 2 N is a promising electrocatalyst for the reduction of N 2 to NH 3 .
Zhang et al. (Mon,) studied this question.