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A boron anchored defective Mo 2 C monolayer with superior electrocatalytic activity for the NRR at 0.41 eV along the distal pathway on account of a more positive B p-band center.

Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C

Electrocatalytic nitrogen reduction directed through the p-band center of boron on B_SAC@Mo₂C