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arXiv 2210.17232cond-mat.mes-hall
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蒽基分子热电性能中的量子干涉和接触效应

Quantum Interference and Contact Effects in Thermoelectric Performance of Anthracene-Based Molecules

Joseph M. Hamill, Ali Ismael, Alaa Al-Jobory, Troy L. R. Bennett, Maryam Alshahrani, Xintai Wang, Maxwell Akers-Douglas, Luke A. Wilkinson, Benjamin J. Robinson… 展开作者

Joseph M. Hamill, Ali Ismael, Alaa Al-Jobory, Troy L. R. Bennett, Maryam Alshahrani, Xintai Wang, Maxwell Akers-Douglas, Luke A. Wilkinson, Benjamin J. Robinson, Nicholas J. Long, Colin Lambert, Tim Albrecht

摘要:

我们报告的单分子的电子和热电性能的战略选择蒽基分子与锚定基团能够绑定到贵金属基板,如金和铂。具体而言,我们研究了不同的锚基团,以及量子干涉,金/单分子/金结的电导和热电性的影响,一般发现理论和实验之间的良好协议。所有的分子结显示一致的相干传输和费米对准约在HOMO/LUMO间隙的中间的传输特性。单分子的结果与先前报道的薄膜数据一致,进一步支持分子设计考虑可以从单分子器件转化为多分子器件的观点。对于锚定基团的组合,其中一个锚定基团比另一个锚定基团更强地结合到电极上,更强的锚定基团似乎主导分子结的热电行为。对于其他组合,电极材料的选择可以确定热电势的符号和大小。这一发现对热电发电机设备的设计具有重要意义,其中需要n型和p型导体来产生热电流。

英文摘要:

We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study the effect of different anchor groups, as well as quantum interference, on the electric conductance and the thermopower of gold/single-molecule/gold junctions and generally find good agreement between theory and experiment. All molecular junctions display transport characteristics consistent with coherent transport and a Fermi alignment approximately in the middle of the HOMO/LUMO gap. Single-molecule results are in agreement with previously reported thin-film data, further supporting the notion that molecular design considerations may be translated from the single- to the many-molecule devices. For combinations of anchor groups where one binds significantly more strongly to the electrodes than the other, the stronger anchor group appears to dominate the thermoelectric behaviour of the molecular junction. For other combinations, the choice of electrode material can determine the sign and magnitude of the thermopower. This finding has important implications for the design of thermoelectric generator devices, where both n- and p-type conductor are required for thermoelectric current generation.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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