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Chemical Communications

Synergistic Enhancement of Bilayer NiOOH Catalytic Activity for Oxygen Evolution Reaction via Interface and Fe Doping: Insights from First-Principles Calculations

Xing-Chen Ding,   Jia-Hang Cai,   Rui Tan,   Xing-Xing Jiang,   Jieyao Tan,   Qi Hu,   Zhenkun Tang  and  Li-Min Liu  

Abstract

The catalytic properties of Fe-doped bilayer NiOOH were studied. The bilayer NiOOH exhibits a lower OER overpotential than its monolayer. Besides, Fe-doped bilayer NiOOH can further reduce the OER overpotential to 0.24 V. The shift upward in Ni-3d spin-up orbitals reduces the adsorption energy of intermediates and enhances the OER catalytic activity.

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Article information

DOI
https://doi.org/10.1039/D6CC00879H
Article type
Communication
Submitted
09 Feb 2026
Accepted
15 Apr 2026
First published
16 Apr 2026

Chem. Commun., 2026, Accepted Manuscript

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Synergistic Enhancement of Bilayer NiOOH Catalytic Activity for Oxygen Evolution Reaction via Interface and Fe Doping: Insights from First-Principles Calculations

X. Ding, J. Cai, R. Tan, X. Jiang, J. Tan, Q. Hu, Z. Tang and L. Liu, Chem. Commun., 2026, Accepted Manuscript , DOI: 10.1039/D6CC00879H

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