Lithium-Ion Conducting Self-Assembled Organic Nanowires: Optimizing Mechanical Performance and Ionic Conductivity through Programmable Supramolecular Interactions.

IF 7.6 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Chemical Science Pub Date : 2025-06-03 DOI:10.1039/d5sc00159e

Vishwakarma Ravikumar Ramlal, Sam Sankar Selvasundarasekar, Akanksha Singh, Jenil Ankola, Rabindranath Lo, Subtrata Kundu, Amal Kumar Mandal

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Abstract : The emergence of wearable devices has led to a greater need for battery materials that are safe, resilient, exhibit high levels of ionic conductivity. Here, we present a supramolecular design as a useful tactic through fine tuning of the noncovalent interactions to overcome the standard trade-off in solid state Li-ion conductors between ionic conductivity and mechanical resilience. We report solution processable self-assembled organic nanowires (SONs) with varying supramolecular interactions through structural mutation to boost Li-ion conductivity and mechanical integrity. The findings indicate that precise H-bonding plays a crucial role in achieving a maximum Young's modulus (1050.5 ± 38 MPa), and toughness (15666 ± 423 kJ/m³), surpassing the impact of the number of H-bonding sites. Highly structured H-bonded morphology facilitated the creation of binding pockets, enhancing lithiation, in achieving the highest ionic conductivity (3.12 × 10^-4 Scm^-1) with Li-ion transference number of 0.8 at 298 K. The molecular dynamics simulation demonstrates that, among the various interaction sites, the hopping of Li-ions through the axial pathway is favoured over the planar pathway. This study represents a pioneering example illustrating the methodology behind the impact of noncovalent interactions within nanoscale assemblies on the ion conductivity and mechanical characteristics of supramolecular Li-ion conductors.

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锂离子导电自组装有机纳米线：通过可编程超分子相互作用优化机械性能和离子电导率。

摘要：可穿戴设备的出现导致了对安全、弹性、具有高水平离子电导率的电池材料的更大需求。在这里，我们提出了一种超分子设计作为一种有用的策略，通过微调非共价相互作用来克服固态锂离子导体在离子电导率和机械弹性之间的标准权衡。我们报道了溶液可加工的自组装有机纳米线（SONs），通过结构突变具有不同的超分子相互作用，以提高锂离子的电导率和机械完整性。研究结果表明，精确的氢键在获得最大杨氏模量（1050.5±38 MPa）和韧性（15666±423 kJ/m3）方面起着至关重要的作用，超过了氢键位点数量的影响。高结构的氢键形态促进了结合口袋的形成，增强了锂化，在298 K下获得了最高的离子电导率（3.12 × 10-4 cm-1），锂离子转移数为0.8。分子动力学模拟表明，在不同的相互作用位点中，锂离子通过轴向途径的跳跃比通过平面途径的跳跃更有利。这项研究代表了一个开创性的例子，说明了纳米级组件内非共价相互作用对超分子锂离子导体的离子电导率和机械特性影响背后的方法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemical Science CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

14.40

自引率

4.80%

发文量

1352

审稿时长

2.1 months

期刊介绍： Chemical Science is a journal that encompasses various disciplines within the chemical sciences. Its scope includes publishing ground-breaking research with significant implications for its respective field, as well as appealing to a wider audience in related areas. To be considered for publication, articles must showcase innovative and original advances in their field of study and be presented in a manner that is understandable to scientists from diverse backgrounds. However, the journal generally does not publish highly specialized research.