Lowering the Cu-O bond energy in CuO nanocatalysts enhances the efficiency of NH3 oxidation

Lu Chen (), Xuze Guan, Zhangyi Yao, Shusaku Hayama, Matthijs A. van Spronsen, Burcu Karagoz, Georg Held, David G. Hopkinson, Christopher S. Allen, June Callison, Paul J. Dyson () and Feng Ryan Wang ()
Additional contact information
Lu Chen: Chinese Academy of Sciences
Xuze Guan: Torrington Place
Zhangyi Yao: Torrington Place
Shusaku Hayama: Chilton
Matthijs A. van Spronsen: Chilton
Burcu Karagoz: Chilton
Georg Held: Chilton
David G. Hopkinson: Diamond Light Source Ltd.
Christopher S. Allen: Diamond Light Source Ltd.
June Callison: Rutherford Appleton Laboratory
Paul J. Dyson: École Polytechnique Fedérale de Lausanne (EPFL)
Feng Ryan Wang: Torrington Place

Nature Communications, 2025, vol. 16, issue 1, 1-10

Abstract: Abstract Tuning the electronic properties of nanocatalysts via doping with monodispersed hetero-metal atoms is an effective method used to enhance catalytic properties. Doping CuO nanoparticles with monodispersed Co atoms using different reductants affords catalysts (CoBCu/Al2O3 and CoHCu/Al2O3) with strikingly different electronic structures. Compared to CoHCu/Al2O3, the CuO nanoparticles in CoBCu/Al2O3 have longer and weaker Cu-O bonds, with a lower 1s → 4pz antibonding transition and higher 4p → 1s bonding transition (as demonstrated from HERFD-XANES and valence-to-core X-ray emission spectroscopy). The weaker Cu-O bonds in CoBCu/Al2O3 lead to superior redox activity of the CuO nanoparticles, evidenced from operando XAFS and in-situ near ambient pressure-near edge X-ray absorption fine structures studies. Such superior redox properties of CuO in CoBCu/Al2O3 result in a much reduced activation energy of CoBCu/Al2O3 compared to CoHCu/Al2O3 (40.0 vs. 63.5 kJ/mol), thus leading to an enhancement in catalytic performance in the selective catalytic oxidation of NH3 to N2.

Date: 2025
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DOI: 10.1038/s41467-025-64415-w

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