控制2D导电MOF中的电荷传输――富联体和化学功能的作用
Petru Apostol1, Sai Manoj Gali2, Alice Su3
1Institute of Condensed Matter and Nanosciences, Molecular Chemistry, Materials and Catalysis, Université Catholique de Louvain, Louvain-la-Neuve B-1348, Belgium.
Journal of the American Chemical Society
|November 3, 2023
概括
研究人员开发了新的导电金属有机框架 (2D-e-MOF),可以在合成后进行化学修饰. 用甲硫基对Ni3 (HITAT) 2进行后功能化,使电导率调整了大约20倍.
科学领域:
- 材料科学
- 化学学
- 纳米技术
背景情况:
- 二维导电金属有机框架 (2D-e-MOF) 是一个有前途的功能材料.
- 合成后的化学功能化和对2D-e-MOF中的运输特性进行微调仍然具有挑战性.
研究的目的:
- 合成和描述具有后功能化反应位点的新型同结构2D-e-MOF.
- 研究化学修饰对2D-e-MOF电传特性的影响.
主要方法:
- 使用新的联体HATAT和HATBim合成两个同结构的2D-e-MOF,Ni3 ((HITAT) 2) 和Ni3 ((HITBim) 2).
- 测量散装导电性和取决于温度的电荷传输.
- 电子结构的密度功能理论 (DFT) 分析
- 用甲硫基进行合成后的共价功能化.
主要成果:
- Ni3 ((HITAT) 2和Ni3 ((HITBim) 2) 呈现温度激活的电荷传输,电导率分别为44和0.5mS cm-1.
- DFT分析显示了HATAT和HATBim配体之间的电子密度分布和LUMO能量差异.
- 用甲硫基对Ni3 (HITAT) 2进行后功能化,使电导率大约提高了20倍.
结论:
- 开发的2D-e-MOF为合成后的修饰提供了反应场所.
- 化学功能化提供了一个精确调整2D-e-MOF电导率的途径.
- 这项工作提出了一种设计具有量身定制的化学和电气性能的多孔功能材料的策略.
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