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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00637304" target="_blank" >RIV/61388963:_____/25:00637304 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1039/D5SC00159E" target="_blank" >https://doi.org/10.1039/D5SC00159E</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d5sc00159e" target="_blank" >10.1039/d5sc00159e</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

The emergence of wearable devices has led to a greater need for battery materials that are safe, resilient, and 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 (15 666 +/- 423 kJ m-3), surpassing the impact of the number of H-bonding sites. The highly structured H-bonded morphology facilitated the creation of binding pockets, enhancing lithiation, in achieving the highest ionic conductivity (3.12 x 10-4 S cm-1) with a 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.

Název v anglickém jazyce

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

Popis výsledku anglicky

The emergence of wearable devices has led to a greater need for battery materials that are safe, resilient, and 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 (15 666 +/- 423 kJ m-3), surpassing the impact of the number of H-bonding sites. The highly structured H-bonded morphology facilitated the creation of binding pockets, enhancing lithiation, in achieving the highest ionic conductivity (3.12 x 10-4 S cm-1) with a 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Chemical Science

ISSN

2041-6520

e-ISSN

2041-6539

Svazek periodika

16

Číslo periodika v rámci svazku

27

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

12534-12547

Kód UT WoS článku

001505485000001

EID výsledku v databázi Scopus

2-s2.0-105008081701