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  11. Lithium-ion Conducting Self-assembled Organic Nanowires: Optimizing Mechanical Performance And Ionic Conductivity Through Programmable Supramolecular Interactions

Lithium-ion conducting self-assembled organic nanowires: optimizing mechanical performance and ionic conductivity through programmable supramolecular interactions

Vishwakarma Ravikumar Ramlal1,2, Sam Sankar Selvasundarasekar3, Akanksha Singh1,2

  • 1Analytical and Environmental Science Division and Centralized Instrument Facility, CSIR-Central Salt and Marine Chemicals Research Institute Bhavnagar Gujarat-364002 India akmandal@csmcri.res.in.

Chemical Science
|June 13, 2025

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View abstract on PubMed

Summary
This summary is machine-generated.

Researchers developed self-assembled organic nanowires for safer, resilient solid-state lithium-ion conductors. Precise hydrogen bonding significantly improved ionic conductivity and mechanical strength for advanced battery materials.

Area of Science:

  • Materials Science
  • Electrochemistry
  • Nanotechnology

Background:

  • Wearable devices require advanced battery materials with high ionic conductivity, safety, and mechanical resilience.
  • Solid-state lithium-ion conductors face a trade-off between ionic conductivity and mechanical integrity.
  • Supramolecular design offers a strategy to overcome limitations in current battery materials.

Purpose of the Study:

  • To explore supramolecular design for enhancing ionic conductivity and mechanical resilience in solid-state lithium-ion conductors.
  • To investigate the role of noncovalent interactions, specifically hydrogen bonding, in tuning material properties.
  • To develop solution-processable self-assembled organic nanowires (SONs) for improved battery performance.

Main Methods:

  • Fabrication of self-assembled organic nanowires (SONs) with varied supramolecular interactions via structural mutation.

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  • Characterization of mechanical properties, including Young's modulus and toughness.
  • Measurement of ionic conductivity and lithium-ion transference number.
  • Molecular dynamics simulations to elucidate ion transport mechanisms.

    • Main Results:

    • Precise hydrogen bonding was identified as critical for achieving superior mechanical properties (Young's modulus: 1050.5 ± 38 MPa, toughness: 15,666 ± 423 kJ m⁻³).
    • Structured H-bonded morphology enhanced lithiation and led to the highest ionic conductivity (3.12 × 10⁻⁴ S cm⁻¹).
    • Lithium-ion transference number reached 0.8 at 298 K.
    • Molecular dynamics simulations revealed preferential axial hopping of Li-ions.

    Conclusions:

    • Supramolecular design, particularly through controlled hydrogen bonding, effectively overcomes the conductivity-mechanical resilience trade-off in solid-state Li-ion conductors.
    • The developed SONs demonstrate significant potential for next-generation wearable device batteries.
    • This study provides a foundational methodology for designing advanced ion-conducting materials based on nanoscale assemblies and noncovalent interactions.