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Updated: Nov 19, 2025

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Deciphering NH3 Adsorption Kinetics in Ternary Ni-Cu-Fe Oxyhydroxide toward Efficient Ammonia Oxidation Reaction
Mingke Zhu1, Yi Yang1, Shibo Xi2
1Department of Material Science and Engineering, National University of Singapore, Singapore, 117575, Singapore.
Abstract:
Developing efficient catalysts for the ammonia oxidation reaction (AOR) is crucial for NH3 utilization as a large-scale energy carrier. This work reports a promising Ni-Cu-Fe-OOH material for ammonia oxidation, and density functional theory is used to investigate the AOR mechanism. It is revealed that the oxygen-atoms bonded with the metal-atom on the surface of electrode play an important role in AOR. By codoping Cu and Fe, the electron distribution around the oxygen-atom is affected, which helps to promote the occurrence of ammonia oxidation. The Ni-Cu-Fe-OOH material delivers one of the highest ammonia removal efficiency to date of ≈90% after 12 h. In addition, ≈55% of the initial ammonia is successfully degraded after 24 h in high ammonia concentration. Thus, this work reveals the mechanism of AOR that can provide new ideas to tailor more powerful and updated catalysts in the future.
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