在波状2D合金属有机框架中通过素替代调节的结晶性和电子导电
Kamil Jastrzembski1, Yingying Zhang1, Yang Lu1,2
1Center for Advancing Electronics Dresden (CFAED) & Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, Mommsenstrasse 4, 01062, Dresden, Germany.
Small (Weinheim an der Bergstrasse, Germany)
|December 11, 2023
概括
新浪 2D 合金属有机框架 (c-MOFs) 使用扭曲的连接体来获得可调的结晶性和导电性. 与相比,的替代显著提高了电气性能.
科学领域:
- 材料科学 材料科学 材料科学
- 化学 化学 化学
- 纳米技术 纳米技术
背景情况:
- 传统的2D合金属有机框架 (c-MOFs) 使用平面连接体,限制了属性调整.
- 配体上对称的功能组限制了替代剂的引入.
- 微调2D c-MOF的结晶性和电性质仍然是一个挑战.
研究的目的:
- 报告一种新的波状2Dc-MOF类型,使用核心扭曲的六基-六----- (HH-cHBCs) 作为配体.
- 为了研究电子提取组 (EWG) 对配体替代的作用,调整MOF属性.
- 建立一个分子设计策略,以提高二维c-MOF中的晶度和电导率.
主要方法:
- 波状2Dc-MOFs与替代的HH-cHBC配体 (F,Cl,Br) 的合成.
- 结晶性和电性质的表征.
- 理论计算以了解协调结合和电子效应.
主要成果:
- 带有 EWG 的 HH-cHBC 配体使结晶性和电导率的调整成为可能.
- 替代导致更可逆的协调结合.
- 用F替代的2D c-MOF表现出优越的结晶性,带状单晶.
- 与Cl替代模拟相比,F替代的2D c-MOF显示电导率增加了两级,电荷载体的移动性几乎是Cl替代模拟的三倍.
结论:
- 基于替代的HH-cHBCs的波形2Dc-MOF的新型分子设计策略被介绍.
- 连接物替代提供了一条定制协调可逆性,结晶性和电导性的途径.
- 这项工作为开发具有增强电子性能的先进2D c-MOF开辟了道路.
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