A metal-free catalyst for electrocatalytic NO reduction to NH3

Metal-free boron phosphide (BP) is explored for the first time as an effective catalyst for electrocatalytic NO reduction to NH3, showing a high NH3-faradaic efficiency of 83.3% with an NH3 yield rate of 96.6 μmol h-1 cm-2, surpassing most metal-based catalysts. Theoretical results reveal that the B and P atoms of BP can serve as dual-active centers to synergistically activate NO, promote the NORR hydrogenation process and inhibit the competing hydrogen evolution reaction.