Modulation of d-d orbital hybridization via creating asymmetrical paired iron sites for oxygen reduction reaction

zhijun Li; Hongxue Liu; Yunlu Chen; Siqi Ji; Xue Lu; Wenkai Yang; Yu Wang; J. Hugh Horton; Yujia Tang; Xinlong Tian

doi:10.1039/d6ee01866a

January 1, 2026Energy & Environmental Science

Modulation of d-d orbital hybridization via creating asymmetrical paired iron sites for oxygen reduction reaction

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Key Points

The research aims to develop a design principle for improving the activity of diatomic catalysts in the oxygen reduction reaction.
Created asymmetrical paired iron sites to alter local electronic structures.
Conducted testing on kinetics of the oxygen reduction reaction.
Analyzed performance metrics of modified catalysts against traditional designs.
Achieved significant improvement in ORR activity with modified iron sites.
Demonstrated a reduction in energy barriers for the reaction, indicating enhanced efficiency.
Showed that the electronic structure modifications led to a faster reaction rate.

Implication

Demonstrates enhanced oxygen reduction activity in iron-based catalysts, suggesting new design principles.

Abstract

Diatomic catalysts bearing unique electronic structures hold promise for accelerating the kinetically sluggish oxygen reduction reaction (ORR). However, a rational design principle for modulating metal sites’ microenvironments to boost activity...

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/69fed140b9154b0b828787b0 https://doi.org/10.1039/d6ee01866a

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Modulation of d-d orbital hybridization via creating asymmetrical paired iron sites for oxygen reduction reaction

Key Points

Implication

Abstract

Discussion

Cite This Study

Modulation of d-d orbital hybridization via creating asymmetrical paired iron sites for oxygen reduction reaction

Key Points

Implication

Abstract

Discussion

Cite This Study

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