Palladium phosphides are explored as efficient catalysts
for the
electrocatalytic reduction of nitrate to ammonia (NRA). The explored
PdP2 nanoparticles on reduced graphene oxide exhibit the
maximum NH3 Faradaic efficiency of 98.2% with a corresponding
NH3 yield rate of 7.6 mg h–1 cm–2 at −0.6 V (RHE). Theoretical calculations reveal that a PdP2 (011) surface can not only effectively activate and hydrogenate
NO3
– via a NOH pathway but also retard
H adsorption to inhibit the competitive hydrogen evolution reaction.