What question did this study set out to answer?

The aim is to develop high-performance organic lithium-ion battery cathodes using molecularly engineered 1D covalent organic frameworks.

February 12, 2026

Molecular Engineering‐Regulated Donor‐Acceptor 1D Covalent Organic Frameworks with Bipolar Redox‐Active Centers for High‐Performance Organic Li‐Ion Battery Cathodes

Key Points

The aim is to develop high-performance organic lithium-ion battery cathodes using molecularly engineered 1D covalent organic frameworks.
Synthesis of two types of donor-acceptor 1D covalent organic frameworks (COFs) with bipolar redox-active behavior.
Integration of COFs with carbon nanotubes (CNT) to form a composite structure.
Evaluation of performance metrics including cycling stability and capacity using capacity analysis and density functional theory calculations.
The BF-4C composite shows a maximum capacity of 329 mAh g − 1 at 100 mA g − 1.
Maintains around 100 mAh g − 1 capacity even at a high discharge rate of 5000 mA g − 1.
Demonstrates superior cycling stability and rate capability compared to conventional composites.

Abstract

ABSTRACT Covalent organic frameworks (COFs) possess numerous merits that position them as a promising class of electrode materials for energy storage. However, traditional 2D or 3D COFs exhibit inherent limitations. In this work, two donor‐acceptor (D‐A) type 1D COFs with bipolar redox‐active behavior are synthesized. By leveraging molecular engineering to regulate the energy gap of the 1D COFs, enhanced electronic conductivity is achieved. To further improve performance, the 1D COFs were in situ grown on carbon nanotubes (CNT), yielding COFs composites with a unique dendritic core‐shell structure that maximizes active‐site exposure. The BF‐4C composite delivers exceptional long‐term cycling stability, exhibiting a maximum capacity of 329 mAh g − 1 at 100 mA g − 1 and retaining about 100 mAh g − 1 even at 5000 mA g − 1 , and outstanding rate capability. Cathodes prepared with a high CNT ratio and in situ growth strategy outperform conventional composites. Through capacity analysis, X‐ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations, we propose that each BF unit participates in the reversible storage of two PF 6 − anions and eight Li‐ions during the charge/discharge processes. This work highlights the potential of molecularly engineered 1D COFs as high‐performance organic cathodes for next‐generation lithium‐ion batteries (LIBs).

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