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March 21, 2026Angewandte Chemie0 citations

Curvature‐Engineered Steering of Oxygen Electroreduction Pathways on Single‐Atom Catalysts

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HXHongyin XiaHSHounan SunDYDi Yang

Key Points

  • The research aims to develop a strategy to control and optimize oxygen reduction reaction pathways in single-atom catalysts.
  • Developed a curvature engineering strategy for single-atom catalysts
  • Conducted theoretical calculations and in-situ spectroscopy
  • Investigated the impact of interfacial water restructuring on ORR activity
  • Compared Cu-based SACs on high and low curvature carbon nanotubes
  • Cu single-atom sites on high-curvature CNTs achieved 4e- ORR performance comparable to Pt/C
  • Low-curvature CNTs demonstrated ORR selectivity of up to 99.5% for 2e- production
  • Proof-of-concept electrolyzer showed H2O2 Faradaic efficiencies of 96.4% and 92.5% at 200 and 300 mA cm-2
  • Sustained >90% efficiency for over 100 hours at a total current of 3 A

Abstract

ABSTRACT Single‐atom catalysts (SACs) are a promising class of electrochemical oxygen reduction reaction (ORR) catalysts, enabling either a four‐electron (4e – ) pathway for energy conversion or a two‐electron (2e – ) pathway for H 2 O 2 production. However, the precise control and optimization of the ORR pathway remain challenging due to the lack of strategies for fine‐tuning the SACs coordination structures. Herein, we developed a curvature engineering strategy that enables, for the first time, continuous steering of the ORR pathway from 2e – to 4e – over Cu‐based SACs. Through theoretical calculations and in‐situ spectroscopy, we revealed the essential mechanism by which active‐site tensile strain and interfacial water restructuring, induced by carbon nanotubes with varying curvature, jointly govern ORR activity and selectivity. The Cu single‐atom sites on high‐curvature CNTs exhibit 4e – ORR performance comparable to that of Pt/C, while those on low‐curvature CNTs achieve up to 99.5% 2e – ORR selectivity. Proof‐of‐concept solid‐electrolyte electrolyzer equipped with Cu SACs demonstrates exceptional performance for H 2 O 2 electrosynthesis, achieving H 2 O 2 Faradaic efficiencies of 96.4% and 92.5% at 200 and 300 mA cm −2 , respectively, and sustaining >90% efficiency for over 100 h at a total current of 3 A. This work establishes curvature engineering as an ORR descriptor for precisely regulating SACs and designing advanced electrocatalysts.

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Cite This Study

Xia et al. (2026) studied this question.

synapsesocial.com/papers/69be362d6e48c4981c674ebdhttps://doi.org/10.1002/ange.3924995
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