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Work Function-Induced Electronic Modulation in NiCo Alloy for Electrochemical Nitrate Reduction.

Yan Shen¹, Yingnan Dou¹, Liping Sun¹

¹Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, P. R. China.

Inorganic Chemistry

|April 3, 2025

Summary

Researchers developed a new electrocatalyst for ammonia production via nitrate reduction. The NiCo alloy on carbon cloth shows high efficiency and selectivity, offering a novel design strategy for electrocatalyst development.

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Area of Science:

Materials Science
Electrochemistry
Catalysis

Background:

Electrocatalyst design is crucial for efficient ammonia (NH3) production via nitrate reduction reaction (NO3--RR).
Alloy compounds offer tunable electronic properties for optimizing catalytic activity.

Purpose of the Study:

To propose a design strategy for electrocatalysts by adjusting the work function of alloy compounds.
To investigate the electrocatalytic performance of NiCo alloy for NH3 production from NO3- reduction.

Main Methods:

Electrodeposition of NiCo alloy on carbon cloth using deep eutectic solvent (DES).
Electrochemical characterization and density functional theory (DFT) calculations.
Fabrication and testing of a Zn-NO3- battery.

Main Results:

NiCo alloy achieved an ammonia production rate of 1.55 mmol h-1 cm-2 at -0.38 V vs RHE with 84.94% Faraday efficiency and 94% selectivity.
Alloying reduced the work function of Ni, optimizing the d-band center and improving catalytic performance.
The Ni1Co2/CC catalyst demonstrated potential in a Zn-NO3- battery.

Conclusions:

Adjusting the work function of alloy compounds is an effective strategy for designing high-performance electrocatalysts for NO3--RR.
The developed NiCo alloy electrocatalyst shows significant promise for sustainable ammonia synthesis and energy storage applications.