FeNi bimetallic oxides derived from MOFs as precursors promote efficient electrochemical synthesis of ammonia

Abstract

In recent years, electrochemical nitrate reduction (NO₃⁻RR) for ammonia synthesis has garnered increasing attention as a sustainable alternative to the Haber–Bosch process for ammonia production and wastewater treatment. The development of efficient electrocatalysts is crucial because the activity and selectivity for ammonia production remain relatively low. In this letter, we conducted rational design and density functional theory (DFT) calculations, and obtained a high-yield and efficient catalyst, NiFe₂O₄. The catalyst exhibits a yield rate of 21.45 mg h⁻¹ cm⁻² and a faradaic efficiency of 97.65%, surpassing the performance of most Fe-based and Ni-based catalysts. Experimental results demonstrate that different calcination temperatures and the introduction of varying amounts of nickel precursors significantly affect the catalyst's performance, as is further supported by DFT calculations. This study offers a promising strategy for designing high-performance NO₃⁻RR catalysts for electrocatalytic NH₃ synthesis and waste water treatment.