Single-atom Cu anchored on Mo₂C boosts nitrite electroreduction to ammonia

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Electrochemical nitrite reduction to ammonia (NO2RR) is a promising sustainable ammonia production pathway.
• Developing efficient and selective electrocatalysts is crucial for advancing NO2RR technology.

Purpose of the Study:

• To design and investigate single-atom copper anchored on molybdenum carbide (Cu1/Mo2C) as an electrocatalyst for NO2RR.
• To understand the catalytic mechanism and optimize the performance for ammonia synthesis.

Main Methods:

• Synthesis of single-atom Cu anchored on Mo2C (Cu1/Mo2C) electrocatalyst.
• Electrochemical characterization including cyclic voltammetry and chronoamperometry.
• Theoretical computations (e.g., DFT) to elucidate the reaction mechanism.

Main Results:

• Cu1/Mo2C demonstrated high NH3-faradaic efficiency (91.5%) and yield rate (472.9 μmol h-1 cm-2) at -0.6 V vs. RHE.
• Theoretical studies revealed the formation of Cu-Mo dual-active sites, enhancing NO2- activation and lowering reaction barriers.
• The catalyst effectively suppressed the competing hydrogen evolution reaction.

Conclusions:

• Single-atom Cu/Mo2C is a highly effective electrocatalyst for nitrite reduction to ammonia.
• The synergistic effect of Cu-Mo dual-active centers is key to the catalyst's superior performance.
• This work offers a promising strategy for efficient and selective electrochemical ammonia synthesis.