导电性的空气稳定性和载体类型 M3 (六氨) 2, (M = Co,Ni,Cu)
Allison C Hinckley1, Jihye Park1, Joseph Gomes2
1Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States.
Journal of the American Chemical Society
|June 2, 2020
概括
在金属有机框架 (MOF) 中改变金属离子会对其电导率和空气稳定性产生重大影响. 这项研究通过考虑金属离子d轨道相互作用,为设计稳定,导电的MOF提供了洞察力.
科学领域:
- 材料科学
- 固态化学
- 纳米技术
背景情况:
- 金属有机框架 (MOF) 提供可调节的电子特性.
- 了解金属离子对MOF导电性的影响对于开发新的电子材料至关重要.
研究的目的:
- 研究不同金属离子 (Co,Ni,Cu) 对基于六氨 (HAB) 的MOF的电传特性和空气稳定性的影响.
- 阐明金属离子标识,电子结构和材料性能之间的关系.
主要方法:
- M-HAB (M = Co,Ni,Cu) MOF系列的合成
- 在不同的大气条件下测量电导率.
- 计算分析包括带结构,状态的部分密度和电荷转移.
主要成果:
- 电导率和载体类型深受金属离子的影响.
- 同HAB和Cu-HAB具有n型导电性,而Ni-HAB则具有双极性和环境敏感性.
- 空气稳定性与金属离子d轨道占用率和方向有关,而不仅仅是LUMO水平.
结论:
- 金属离子标识是设计导电和空气稳定的MOF的一个关键因素.
- 金属d轨道和连接体之间的相互作用决定了这些n型MOF的空气稳定性.
- 这项研究为先进的电子MOF的合理设计提供了基础.
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