Subnanometric Nickel Phosphide Heteroclusters with Highly Active Ni δ+ –P δ− Pairs for Nitrate Reduction toward Ammonia

The development of efficient electrocatalysts for the neutral nitrate reduction reaction (NO3–RR) toward ammonia (NH3) is essential to address the environmental issues caused by NO3– but remains considerably challenging owing to the sluggish reaction kinetics of NO3–RR in neutral media. Herein, we report subnanometric heteroclusters with strongly coupled nickel–phosphorus (Ni–P) dual-active sites as electrocatalysts to boost the neutral NO3–RR. Experimental and theoretical results reveal that the subnanometric feature of Ni–P heteroclusters promotes the electron transfer from Ni to P, generating Niδ+–Pδ− active pairs, in which Niδ+ species are highly active for the NO3–RR and Pδ− tunes the interfacial water…

• NN
  National Natural Science Foundation of China

  Awards: 22379100, U21A20312
• DO
  Department of Education of Guangdong Province

  Award: 2023ZDZX3020
• ST
  Science, Technology and Innovation Commission of Shenzhen Municipality

  Award: 20231121200418001
• BA
  Basic and Applied Basic Research Foundation of Guangdong Province

  Award: 2022B1515120084