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首页> 外文期刊>RSC Advances >Oscillating Seebeck coefficients in π-stacked molecular junctions
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Oscillating Seebeck coefficients in π-stacked molecular junctions

机译：π堆积分子结中的振荡塞贝克系数

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When a linear aromatic molecule within a nanogap is bound only to a source electrode, and an adjacent molecule is bound only to a drain electrode, the two molecules can interact via pi–pi stacking, which allows electrons to flow from the source to the drain, via pi–pi bonds. Here we investigate the thermoelectric properties of such junctions, using mono-thiol oligo-phenylene ethynylene (OPE3)-based molecules as a model system. For molecules which are para -connected to the electrodes, we show that the Seebeck coefficient is an oscillatory function of the length L of the pi–pi overlap region and exhibits large positive and negative values. This bi-thermoelectric behavior is a result of quantum interference within the junction, which behaves like a molecular-scale Mach–Zehnder interferometer. For junctions formed from molecular monolayers sandwiched between planar electrodes, this allows both hole-like and electron-like Seebeck coefficients to be realized, by careful control of electrode separation On the other hand for meta -connected molecules, the Seebeck coefficient is insensitive to L , which may be helpful in designing resilient junctions with more stable and predictable thermoelectric properties.
机译：当纳米间隙中的线性芳族分子仅与源电极结合，而相邻分子仅与漏电极结合时，这两个分子可以通过pi-pi堆叠相互作用，从而使电子从源流向漏极，通过pi-pi键。在这里，我们使用基于单硫醇低聚亚苯基亚乙炔基（OPE3）的分子作为模型系统研究此类结的热电特性。对于与电极对位连接的分子，我们表明塞贝克系数是pi-pi重叠区长度L的振荡函数，并显示出较大的正值和负值。这种双热电行为是结内量子干扰的结果，其行为类似于分子级马赫曾德尔干涉仪。对于由夹在平面电极之间的分子单分子层形成的结，通过仔细控制电极间距，可以实现孔型和电子型塞贝克系数。另一方面，对于元连接分子，塞贝克系数对L不敏感，这可能有助于设计具有更稳定和可预测的热电特性的弹性结。

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