在 π-σ-π 单分子电线中调节导电
Timothy A Su1, Haixing Li2, Rebekka S Klausen1
1Department of Chemistry, Columbia University , New York, New York 10027, United States.
Journal of the American Chemical Society
|June 15, 2016
概括
这项研究揭示了混合的SIGMA-PI分子电线如何导电. 碳,或原子在脊柱中的排列显著改变了电子传输特性,提供了新的设计原则.
科学领域:
- 分子电子
- 单分子电子
- 量子运输
背景情况:
- 皮结合和西格玛结合系统的导电性质已经得到了很好的理解.
- 关于混合sigma-pi骨干分子电线的导电性知识有限.
- 了解控制这些电线传输特性的因素对于设备应用至关重要.
研究的目的:
- 研究具有pi-sigma-pi骨干结构的分子线的导电性质.
- 确定14组原子 (C,Si,Ge) 的序列和组成如何影响电子通信.
- 建立单分子电器中调节导电性的分子设计概念.
主要方法:
- 使用基于扫描道显微镜的断路技术.
- 研究了一系列具有硫环和三原子α-β-α链 (C,Si,Ge) 的分子线.
- 进行密度函数理论计算以阐明导电趋势.
主要成果:
- 阿尔法-贝塔-阿尔法链中的14组原子的序列和组成决定了电子通信.
- 在α位置放置较重的原子 (Si,Ge) 会降低电导率,而在β位置则会增加电导率.
- C-Ge-C 序列的导电率是 Ge-C-Ge 序列的 20 倍以上.
- 与原子大小,极化性和电子阴性相关的导电性的周期性趋势.
结论:
- 14组元素的周期性趋势决定了pi-sigma-pi系统中的分子导电性.
- 这些趋势类似于在物理有机化学中观察到的α和β效应.
- 这些发现为单分子电子设备的导电性控制提供了新的分子设计策略.
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