"Smart" Molecular Self-Assembly for Safer, Longer-Lasting Solid-State Batteries

Published 18 March, 2026

As the global demand for electric vehicles and portable electronics surges, high-energy-density and inherently safe energy storage systems has become more important than ever. However, while solid-state lithium batteries (SSLBs) offer high safety due to their non-flammability, traditional solid electrolytes face significant bottlenecks, including low ionic conductivity, poor interfacial contact, and mechanical brittleness.

In a review published in Supramolecular Materials, a team of researchers from China highlight a new approach: using supramolecular chemistry to engineer "smart" battery components. The study provides a molecular engineering foundation for realizing practical, high-efficiency, and safe next-generation batteries.

"Unlike traditional materials that rely on rigid covalent bonds, supramolecular materials utilize reversible non-covalent interactions such as hydrogen bonding, halogen bonding, and π-π stacking to create highly ordered, self-assembled structures," explains senior and corresponding author Kai Liu.

Notably, supramolecular chemistry provides a programmable molecular-level design framework for solid-state batteries. "These dynamic interactions act as a 'smart glue', allowing electrolytes to self-heal microcracks and adapt to the volume changes of electrodes during cycling," adds Liu. "This flexibility is crucial for suppressing lithium dendrite growth, which often leads to short circuits in conventional designs."

The researchers also detailed how these molecular interactions build efficient ion transport pathways, lowering energy barriers and improving the battery's rate performance. "By precisely regulating the interfacial composition, supramolecular strategies significantly reduce impedance and enhance long-term cycling stability," says Liu.

Fig. 1. Illustration of how self-assembly with supramolecular interactions enhance SSLBs performance in bulk electrolyte and at the interface of electrolyte: Supramolecular interactions such as hydrogen bonding, π-π interactions, host-guest interactions, charge-transfer interactions, halogen bonding, and solvophobic interactions contribute to the optimization of interphase components, improvements in ion conductivity, and improvements in mechanical strength.

Contact author name, affiliation, email address: 

Name: Kai Liu

Affiliation: Department of Chemical Engineering, Tsinghua University

Email:  liukai2019@tsinghua.edu.cn

Funder:

This research was supported by the Tsinghua University-China Petrochemical Corporation Joint Institute for Green Chemical Engineering (224247) and the Tsinghua-Toyota Joint Research Fund.

Conflict of interest: 

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

See the article: Li, C., et al., Supramolecular self-assembly in solid-state lithium batteries: Bulk electrolyte design and interface engineering, Supramolecular Materials, Volume 4, 2025, 100118. 

DOI: https://doi.org/10.1016/j.supmat.2025.100118 .

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