Supramolecular Assembly of Fused Macrocycle-Cage Molecules for Fast Lithium-Ion Transport

We report a new supramolecular porous crystal assembled from fused macrocycle-cage molecules. The molecule comprises a prismatic cage with three macrocycles radially attached. The molecules form a nanoporous crystal with one-dimensional (1D) nanochannels. The supramolecular porous crystal can take up lithium-ion electrolytes and achieve an ionic conductivity of up to 8.3 × 10<sup>-4</sup> S/cm. Structural analysis and density functional theory calculations reveal that efficient Li-ion electrolyte uptake, the presence of 1D nanochannels, and weak interactions between lithium ions and the crystal enable fast lithium-ion transport. Our findings demonstrate the potential of fused macrocycle-cage molecules as a new design motif for ion-conducting molecular crystals.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2024-09-09
DOI
https://doi.org/10.1021/jacs.4c08558
Citations
17
Primary Topic
Advancements in Battery Materials
Type
article
Field-Weighted Citation Impact
3.55

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article

Supramolecular Assembly of Fused Macrocycle-Cage Molecules for Fast Lithium-Ion Transport

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17 citations
Journal of the American Chemical Society
Advancements in Battery Materials
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article

Supramolecular Assembly of Fused Macrocycle-Cage Molecules for Fast Lithium-Ion Transport

J. Judy, Ashutosh Garudapalli, Yu Zhong, Gangbin Yan, Y. P. Wang, Jun Lou, Stephen D. Funni, Kaiyang Wang, Qing Ai, Jingjie Yeo, Shayan Louie, Zexin Jin, Qiyi Fang, Chong Liu, Suin Choi
article en
17 citations

Abstract

We report a new supramolecular porous crystal assembled from fused macrocycle-cage molecules. The molecule comprises a prismatic cage with three macrocycles radially attached. The molecules form a nanoporous crystal with one-dimensional (1D) nanochannels. The supramolecular porous crystal can take up lithium-ion electrolytes and achieve an ionic conductivity of up to 8.3 × 10<sup>-4</sup> S/cm. Structural analysis and density functional theory calculations reveal that efficient Li-ion electrolyte uptake, the presence of 1D nanochannels, and weak interactions between lithium ions and the crystal enable fast lithium-ion transport. Our findings demonstrate the potential of fused macrocycle-cage molecules as a new design motif for ion-conducting molecular crystals.

Journal of the American Chemical SocietyVol. 146(37)
Cornell University (US), Westlake University (CN), University of Chicago (US), Rice University (US), Columbia University (US)
Welch Foundation, Cornell University, Westlake University, Division of Materials Research, Division of Chemistry, Basic Energy Sciences, Office of Research Infrastructure Programs, National Institutes of Health
Openalex Percentile: Top 7%
Advancements in Battery Materials
3.55
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