journal article·2025-11-27

The Roles of Oxygen Vacancies in Boosting Oxygen Evolution Reaction over Perovskite CeFeO 3−δ /NF Catalysts: An Experimental and Theoretical Investigation

Yubing Zheng, Bo Zhao, Furong Chen, Jun Chen, Xiaoxuan Ma, Zhiqiang Sun, Yidan Liu, Lei Huang, Hongbin Zhang, Shixun Cao, Rongrong Jia

The Journal of Physical Chemistry C· Volume 129· Issue 47
Publisher page

Abstract

In the pursuit of sustainable energy solutions amid rising global energy demands, hydrogen production through water electrolysis has become increasingly significant. However, the oxygen evolution reaction (OER), which occurs at the anodes, frequently acts as a kinetic limitation in the overall process. This study presents a novel CeFeO 3−δ /NF catalyst with oxygen vacancies, which shows exceptional OER performance with an overpotential of just 310 mV at 10 mA·cm –2 . Based on density functional theory (DFT) calculations, the electronic structure of the catalyst and its influence on the OER performance are analyzed. It is revealed that the substantial enhancement in CeFeO 3−δ ’s catalytic efficiency can be attributed to oxygen vacancies. These vacancies optimize the electronic structure and enhance the effective adsorption of intermediates, suggesting a promising approach for the development of next-generation OER catalysts.
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Research context

OpenAlex topics: Electrocatalysts for Energy Conversion · Advancements in Solid Oxide Fuel Cells · Ammonia Synthesis and Nitrogen Reduction

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Physics, Shanghai Key Laboratory of High Temperature Superconductors, Materials Genome Institute and International Center for Quantum and Molecular Structures

Shanghai University

Institute of Materials Science

Technical University Darmstadt

School of Material Science and Engineering

Key Laboratory of Artificial Structures and Quantum Control (Ministry of Education), Shanghai Center for Complex Physics, School of Physics and Astronomy

Shanghai Jiao Tong University

College of Textile Science and Engineering (International Institute of Silk)

Zhejiang Sci-Tech University

Research Center of Nano Science and Technology, Department of Chemistry, College of Sciences

Funding

Deutsche Forschungsgemeinschaft · China Postdoctoral Science Foundation · National Natural Science Foundation of China

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