Steering Yolk-Shell Nanostructures of 1D Unit-Based Covalent Organic Frameworks as Binder Modulators
Yiwen Yang1, Fengxue Duan1, Xiaoman Yao1
1Guangdong Provincial Key Laboratory of Carbon Dioxide Resource Utilization, School of Chemistry, South China Normal University, Guangzhou, 510006, P. R. China.
Advanced Materials (Deerfield Beach, Fla.)
|May 16, 2025
Summary
Novel 1D covalent organic frameworks (1D COFs) with engineered nanostructures enhance lithium-sulfur battery performance. Yolk-shell COFs significantly boost capacity and cycling stability compared to hollow, solid, or traditional binders.
Area of Science:
- Materials Science
- Electrochemistry
- Nanotechnology
Background:
- 1D unit-based covalent organic frameworks (1D COFs) show promise for molecular assembly due to weak chain interactions.
- Exploration of 1D COFs in morphology engineering and energy storage applications, particularly for lithium-sulfur (Li-S) batteries, remains limited.
Purpose of the Study:
- To engineer diverse 1D COF nanostructures (yolk-shell, hollow, solid spheres) using a solvent-induced strategy.
- To evaluate these 1D COF nanostructures as binder modulators for improving Li-S battery performance.
- To investigate the role of nanomorphology and functional groups in enhancing electrochemical properties.
Main Methods:
- Solvent-induced synthesis of 1D COF nanostructures: yolk-shell spheres (YS-COF), hollow spheres (HS-COF), and solid spheres (SS-COF).
- Incorporation of 1D COFs as binder modulators in Li-S battery electrodes, replacing traditional polyvinylidene fluoride (PVDF).
- Electrochemical testing (specific capacity, cycling stability) and characterization.
- Density Functional Theory (DFT) calculations and finite element simulations.
Main Results:
- YS-COF, HS-COF, and SS-COF demonstrated improved mechanical properties, volume change adaptability, and lithium polysulfide (LiPSs) adsorption/catalysis compared to PVDF.
- The YS-COF-based Li-S battery exhibited a high initial specific capacity of 1011 mAh g⁻¹ at 0.5 C.
- YS-COF based cells maintained 962 mAh g⁻¹ at 4 C and cycled over 600 times.
- DFT and simulations confirmed the positive impact of YS-COF nanomorphology and functional groups on electrochemical kinetics.
Conclusions:
- Engineered 1D COF nanostructures, particularly yolk-shell spheres, significantly enhance Li-S battery performance by acting as effective binder modulators.
- The improved performance is attributed to enhanced mechanical stability, volume change accommodation, and superior LiPSs management.
- This morphology engineering strategy offers a promising pathway for optimizing 1D COFs in advanced energy storage systems.
More Related Videos
Related Concept Videos
Metal-Ligand Bonds
19.3K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
19.3K
Valence Bond Theory
8.9K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.9K
Structure of Conjugated Dienes
5.6K
Introduction
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the...
Conjugated dienes are compounds characterized by the presence of alternating double and single bonds. In a conjugated system like 1,3-butadiene, the unhybridized 2p orbital on each carbon overlaps continuously, allowing the π electrons to be delocalized across the entire molecule. In contrast, this type of overlap does not occur in cumulated and isolated dienes, such as 2,3-pentadiene and 1,4-pentadiene, respectively. Instead, the π electrons remain localized between the...
5.6K
π Molecular Orbitals of 1,3-Butadiene
8.7K
Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the...
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the...
8.7K
Stability of Conjugated Dienes
3.4K
Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
3.4K
Spin–Spin Coupling: One-Bond Coupling
1.2K
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
1.2K


