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March 29, 2026Advanced Functional Materials3 citations

Axial O‐Bridge Bond Induced Electron High‐Spin and Destroyed d–π Conjugation of Fe Single‐Atom Sites for Enhanced CO 2 Electroreduction (Adv. Funct. Mater. 25/2026)

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WSWei SunBeijing Forestry UniversityYGYang GaoZhejiang International Studies UniversityBHBoyu HuangMinistry of Education

Key Points

  • To explore how axial O-bridge bonds in Fe single-atom catalysts affect their electronic properties and CO2 reduction activity.
  • Utilized nitrogen-doped carbon-skeleton catalysts derived from ZIF-8
  • Constructed axial O-bridge bond coordinated Fe single-atoms
  • Analyzed changes in electron configuration and surface conjugation
  • O-bridge bond disrupts D4h symmetry of Fe─N4 active center
  • Rearrangement of Fe 3d orbital enhances electron spin
  • Significantly improved electrocatalytic activity for CO2 reduction observed

Abstract

Single-Atoms Catalysts This cover illustrates the construction of axial O-bridge bond coordinated Fe single-atoms in the nitrogen-doped carbon-skeleton catalyst (O─Fe─N4 SACs) derived from ZIF-8. The axial O-bridge bond breaks the D4h symmetry of the Fe─N4 active center, resulting in the rearrangement of the spinning electron in the Fe 3d orbital to disrupt surface d–π conjugation. Therefore, electrocatalytic CO2 reduction (CO2RR) reaction activity is greatly improved. More information can be found in the Research Article by Yixuan Gao, Fan Li, Wen Liu, and co-workers (10.1002/adfm.202529252).

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Cite This Study

Sun et al. (2026) studied this question.

synapsesocial.com/papers/69c8c34bde0f0f753b39e06fhttps://doi.org/10.1002/adfm.74865
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