在高流动性半导体合协调聚合物中控制化/化逆氧化状态
Xing Huang1,2, Yang Li3, Shuai Fu1,4
1Center for Advancing Electronics Dresden (cfaed), Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, Dresden, 01062, Germany.
Angewandte Chemie (International ed. in English)
|March 15, 2024
概括
研究人员通过控制连接体的氧化还原状态来调节结合协调聚合物 (c-CPs) 的电子结构. 这一战略提高了基于银的新型半导体的电导率和热电特性.
科学领域:
- 材料科学 材料科学 材料科学
- 固态化学 固态化学
- 有机-无机混合材料 有机-无机混合材料
背景情况:
- 结合协调聚合物 (c-CPs) 是有希望的有机-无机混合半导体.
- 调整c-CPs的电子结构以提高导电性和移动性仍然是一个挑战.
- 缺乏明确的指导方针阻碍了精确的电子结构调制.
研究的目的:
- 开发一种策略来调节c-CPs的电子结构.
- 控制基/基 (HQ/BQ) 连接体的氧化还原状态.
- 为了保持结构拓,同时调整电子属性.
主要方法:
- 合成Ag4TTHQ和Ag4TTBQ,分别通过与酸银和酸银对1,2,4,5-四甲基 (TTHQ) 反应.
- 描述了合成化合物的电子结构,带间隙和导电性.
- 使用密度函数理论 (DFT) 计算和太赫兹光谱学.
主要成果:
- 在保持相同的拓结构的同时,实现了不同的带间隙 (1.5 eV为Ag4TTHQ,0.5 eV为Ag4TTBQ) 和导电率 (0.4 S/cm为Ag4TTHQ,10 S/cm为Ag4TTBQ).
- DFT揭示了连接体的氧化状态抑制了在Ag4TTHQ的费米水平附近的带形成.
- Ag4TTHQ具有很高的西贝克系数 (330μV/K) 和功率系数 (10μW/m·K2).
- 特拉赫兹光谱显示,这两种化合物的电荷移动性都超过了130cm2/V·s.
结论:
- 控制连接体氧化还原状态为调整c-CP电子结构提供了一个可行的策略.
- 开发的方法允许显著调节带间隙和电导率.
- 合成的基于银的c-CPs显示了高级半导体应用的潜力.
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