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

Yuzhe Wang; Kaiyang Wang; Qing Ai; Stephen D. Funni; Ashutosh Garudapalli; Qiyi Fang; Suin Choi; Gangbin Yan; Shayan Louie; Chong Liu; Jun Lou; Judy J. Cha; Jingjie Yeo; Zexin Jin; Yu Zhong

doi:10.1021/jacs.4c08558

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

Yuzhe Wang
, Kaiyang Wang
, Qing Ai
, Stephen D. Funni
, Ashutosh Garudapalli
, Qiyi Fang
, Suin Choi
, Gangbin Yan
, Shayan Louie
, Chong Liu
, Jun Lou
, Judy J. Cha
, Jingjie Yeo
, Zexin Jin^*
, Yu Zhong^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

14 Citations (Scopus)

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^-4 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. © 2024 American Chemical Society.

Original language	English
Pages (from-to)	25433-25438
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	146
Issue number	37
Online published	9 Sept 2024
DOIs	https://doi.org/10.1021/jacs.4c08558
Publication status	Published - 18 Sept 2024
Externally published	Yes

Funding

This work was supported by Cornell University through startup funding. Yuzhe Wang was supported by the engineering learning initiatives (ELI) undergraduate research award under the Dean Archer Undergraduate Research Program. The authors acknowledge the use of facilities and instrumentation supported by NSF through the Cornell University Materials Research Science and Engineering Center DMR-1719875, the Columbia University Materials Research Science and Engineering Center DMR-2011738, and the Columbia University MRI award CHE-1531632. STEM and EDS characterizations were supported by DOE BES DE-SC0023905. Research reported in this publication was supported by the Office of The Director of the National Institutes of Health under Award Number S10OD026749. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. J.L. acknowledges funding from The Welch Foundation Grant C-1716. Z.J. acknowledges funding from Research Center for Industries of the Future at Westlake University and Westlake Education Foundation. We thank Qiuming Yu for helping with EIS measurements.

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

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title = "Supramolecular Assembly of Fused Macrocycle-Cage Molecules for Fast Lithium-Ion Transport",

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 × 10-4 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. {\textcopyright} 2024 American Chemical Society.",

author = "Yuzhe Wang and Kaiyang Wang and Qing Ai and Funni, \{Stephen D.\} and Ashutosh Garudapalli and Qiyi Fang and Suin Choi and Gangbin Yan and Shayan Louie and Chong Liu and Jun Lou and Cha, \{Judy J.\} and Jingjie Yeo and Zexin Jin and Yu Zhong",

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doi = "10.1021/jacs.4c08558",

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TY - JOUR

T1 - Supramolecular Assembly of Fused Macrocycle-Cage Molecules for Fast Lithium-Ion Transport

AU - Wang, Yuzhe

AU - Wang, Kaiyang

AU - Ai, Qing

AU - Funni, Stephen D.

AU - Garudapalli, Ashutosh

AU - Fang, Qiyi

AU - Choi, Suin

AU - Yan, Gangbin

AU - Louie, Shayan

AU - Liu, Chong

AU - Lou, Jun

AU - Cha, Judy J.

AU - Yeo, Jingjie

AU - Jin, Zexin

AU - Zhong, Yu

PY - 2024/9/18

Y1 - 2024/9/18

N2 - 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 × 10-4 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. © 2024 American Chemical Society.

AB - 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 × 10-4 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. © 2024 American Chemical Society.

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U2 - 10.1021/jacs.4c08558

DO - 10.1021/jacs.4c08558

M3 - RGC 21 - Publication in refereed journal

C2 - 39248664

SN - 0002-7863

VL - 146

SP - 25433

EP - 25438

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 37

ER -

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

Abstract

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