Negative Thermal Expansion Design Strategies in a Diverse Series of Metal–Organic Frameworks,Advanced Functional Materials

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Negative Thermal Expansion Design Strategies in a Diverse Series of Metal–Organic Frameworks
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2019-09-18 , DOI: 10.1002/adfm.201904669
Nicholas C. Burtch ₁ , Samuel J. Baxter ₂ , Jurn Heinen ₃ , Ashley Bird ₁ , Andreas Schneemann ₁ , David Dubbeldam ₃ , Angus P. Wilkinson ₂

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Negative thermal expansion materials are of interest for an array of composite material applications whereby they can compensate for the behavior of a positive thermal expansion matrix. In this work, various design strategies for systematically tuning the coefficient of thermal expansion in a diverse series of metal–organic frameworks (MOFs) are demonstrated. By independently varying the metal, ligand, topology, and guest environment of representative MOFs, a range of negative and positive thermal expansion behaviors are experimentally achieved. Insights into the origin of these behaviors are obtained through an analysis of synchrotron‐radiation total scattering and diffraction experiments, as well as complementary molecular simulations. The implications of these findings on the prospects for MOFs as an emergent negative thermal expansion material class are also discussed.

中文翻译：

金属有机框架系列中的负热膨胀设计策略

负热膨胀材料对于一系列复合材料应用很重要，因此它们可以补偿正热膨胀基质的行为。在这项工作中，展示了各种设计策略，用于系统地调整一系列金属-有机框架（MOF）中的热膨胀系数。通过独立改变代表性MOF的金属，配体，拓扑和来宾环境，可以通过实验实现一系列的负热膨胀行为。通过对同步辐射总散射和衍射实验以及互补分子模拟的分析，可以了解这些行为的起源。

更新日期：2019-11-27

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