Wang Yuzhe, Wang Kaiyang, Ai Qing, Funni Stephen D, Garudapalli Ashutosh, Fang Qiyi, Choi Suin, Yan Gangbin, Louie Shayan, Liu Chong, Lou Jun, Cha Judy J, Yeo Jingjie, Jin Zexin, Zhong Yu
Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853, United States.
Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005, United States.
J Am Chem Soc. 2024 Sep 18;146(37):25433-25438. doi: 10.1021/jacs.4c08558. Epub 2024 Sep 9.
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 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.
我们报道了一种由稠合大环-笼状分子组装而成的新型超分子多孔晶体。该分子由一个棱柱形笼和三个径向连接的大环组成。这些分子形成了具有一维（1D）纳米通道的纳米多孔晶体。这种超分子多孔晶体能够吸收锂离子电解质，实现高达8.3×10 S/cm的离子电导率。结构分析和密度泛函理论计算表明，高效的锂离子电解质吸收、一维纳米通道的存在以及锂离子与晶体之间的弱相互作用使得锂离子能够快速传输。我们的研究结果证明了稠合大环-笼状分子作为离子传导分子晶体新设计基元的潜力。
