缺陷丰富的Zr基金属有机框架对NH3吸附的反应
Tatchamapan Yoskamtorn1, Pu Zhao1, Xin-Ping Wu2
1Wolfson Catalysis Centre, Department of Chemistry, University of Oxford, Oxford OX1 3QR, U.K.
Journal of the American Chemical Society
|February 17, 2021
概括
基于的金属有机框架 (MOF) 中的功能连接剂显著影响氨吸附. 修改链接器会改变MOF的性质,如孔隙性和灵活性,从而实现定制的材料反应.
科学领域:
- 材料科学
- 化学学
- 纳米技术
背景情况:
- 金属有机框架 (MOF) 呈现出对刺激反应的结构变化,这对于智能材料至关重要.
- 了解这些反应对于气体储存,药物输送和传感的应用至关重要.
研究的目的:
- 研究功能链接剂对富含缺陷的Zr基MOF的氨吸附行为的影响.
- 阐明链接器修饰如何影响结构对氨和温度的反应.
主要方法:
- 中微子和同步子衍射
- 莱特维尔德精炼
- 密度函数理论 (DFT) 的计算
主要成果:
- 基于Zr的MOF (UiO-67和UiO-bpydc) 显示出依赖链接剂的氨基亲和力.
- 与连接剂相比,双连接剂显著改变了氨吸附概况.
- 氨的结合诱导了链接器的动态,并影响了结网络.
- 温度会影响氨引起的连接器运动.
结论:
- 功能链接器对于调整MOF属性至关重要,例如门控制的孔隙性和结构刚性.
- 通过修改链接器结构和客分子相互作用,可以控制MOF的分子水平.
- 链接器的结构灵活性对客分子的类型和数量敏感.
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