Metal-free BN quantum dots/graphitic C₃N₄ heterostructure for nitrogen reduction reaction

Exploring high-efficiency metal-free electrocatalysts towards N₂ reduction reaction (NRR) is of great interest for the development of electrocatalytic N₂ fixation technology. Herein, we combined boron nitride quantum dots (BNQDs) and graphitic carbon nitride (C₃N₄) to design a metal-free BNQDs/C₃N₄ heterostructure as an effective and durable NRR catalyst. The electronically coupled BNQDs/C₃N₄ presented an NH₃ yield as high as 72.3 μg h^-1 mg^-1 (-0.3 V) and a Faradaic efficiency of 19.5% (-0.2 V), far superior to isolated BNQDs and C₃N₄, and outperforming nearly all previously reported metal-free catalysts. Theoretical computations unveiled that the N₂ activation could be drastically enhanced at the BNQDs-C₃N₄ interface where interfacial BNQDs and C₃N₄ cooperatively adsorb N₂ and stabilize *N₂H intermediate, leading to the significantly promoted NRR process with an ultra-low overpotential of 0.23 V.