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Robust Cathode for Efficient CO2 Electrolysis Driven by FeO6 Octahedral Rotation and Jahn-Teller Distortion in Solid
Tong Xu1, Jianmei Xu1, Ling Zhao2
1Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074, China.
ACS Applied Materials & Interfaces
|February 17, 2026
Summary
Controlling FeO6 octahedral distortion in perovskite cathodes enhances electrocatalytic performance for solid oxide electrolysis cells. This distortion improves CO2 adsorption and oxygen vacancy formation, leading to superior performance in CO2 reduction reactions.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Perovskite structures are sensitive to BO6 octahedral modulation, impacting material functionalities.
- Controlling octahedral distortion in perovskites is a promising strategy for enhancing electrocatalyst performance and stability.
Purpose of the Study:
- To synthesize a composite perovskite cathode for solid oxide electrolysis cells (SOECs).
- To investigate the influence of FeO6 octahedral distortion on CO2 reduction reaction (CO2RR) performance.
- To elucidate the underlying mechanisms of enhanced electrocatalysis.
Main Methods:
- Sintering-free self-assembly method for synthesizing Sr2Fe1.54Mo0.46O6-δ+SrMoO4 composite perovskite cathode.
- Comprehensive material characterizations.
- Density functional theory (DFT) calculations.
Main Results:
- The synthesized perovskite exhibited FeO6 octahedral distortions, including rotations and Jahn-Teller distortion, due to increased Fe4+.
- Octahedral deformations optimized the Fe-site coordination, enhancing metal-oxygen hybridization and facilitating oxygen vacancy formation.
- The composite cathode achieved a high current density of 1.58 A cm-2 at 800 °C, significantly outperforming the idealized system (0.87 A cm-2).
Conclusions:
- FeO6 octahedral distortion is crucial for enhancing the electrocatalytic performance of perovskite cathodes in SOECs for CO2RR.
- The study proposes a facile method for designing high-performance solid oxide cell electrocatalysts by controlling octahedral distortion.
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