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相关的缺失连接器缺陷增加金属有机框架UiO-66的导热性

Meiirbek Islamov¹, Paul Boone¹, Hasan Babaei²

¹Department of Chemical & Petroleum Engineering, University of Pittsburgh Pittsburgh Pennsylvania 15261 USA wilmer@pitt.edu.

Chemical science

|June 23, 2023

概括

金属有机框架 (MOF) 的结构缺陷通常会降低导热率. 然而,UiO-66 MOF中缺失链接器缺陷的特殊安排可以令人惊地提高沿某些方向的热传输.

科学领域:

材料科学材料科学材料科学
凝聚物质物理学凝聚物质物理学
纳米技术纳米技术

背景情况:

热传输是金属有机框架 (MOF) 的关键性质,但它与结构缺陷的关系仍未得到充分研究.
缺陷是MOF晶体固有的,可以显著改变其材料特性.
了解缺陷影响是为特定应用量身定制MOF属性的关键.

研究的目的:

调查随机和对称分布的缺陷对MOF UiO-66.6的导热率的影响.
分析缺失链接器和缺失集群缺陷对热传输的影响.
探索缺陷的空间布局如何影响导热性异构.

主要方法:

在UiO-66的热导率的计算调查中,存在各种类型的缺陷 (缺失链接器,缺失集群).
在实验解决的纳米领域 (bcu,reo,scu拓) 中分析随机分布的缺陷和对称分布的缺陷.
检查声散射机制和声群速度变化由于缺陷.

主要成果:

随机和集群缺陷通常会降低导热率,正如预期的那样.
在bcu拓中的空间相关的缺失链接器缺陷表现出异性热导率,其中一个方向显示出比无缺陷的UiO-66.6更高的导热率.
这种增强归因于去除垂直连接器,减少声散射,并可能增加声组速度.

结论:

缺陷的空间布局极大地影响MOF的导热性.
缺陷工程为调整MOF中的热传输特性提供了一种新的策略.
具有特定缺陷配置的UiO-66显示出异构热管理的潜力.

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