论文标题
分子间相互作用增强了分子连接的热电性能
Intermolecular interaction enhances thermoelectric performance of molecular junctions
论文作者
论文摘要
由功能分子形成的新型有机材料对各种纳米电源应用具有吸引力,因为它们环保,广泛使用且便宜。自下而上制造方法的最新进步使得具有所需功能的设计和合成功能分子成为可能,并精确地设计其性能。这需要更深入地了解构件的属性,例如单分子可以以自组装单层(SAM)的形式转化为许多分子连接。因此,了解分子间相互作用的效果变得很重要。在本文中,我们研究了分子间相互作用对金属电极之间平行分子形成的连接的电荷传输和热电特性的影响。我们证明,由于两种或不同的两个分子之间的分子间耦合,同时增强了电导系数和塞贝克系数的同时增强了功率因数的数量级增强。该策略可用于通过工程填充密度来改善SAM的热电性能。
Novel organic materials formed from functional molecules are attractive for various nanoelectronic applications because they are environmentally friendly, widely available and inexpensive. Recent advancement in bottom-up fabrication methods has made it possible to design and synthesis functional molecules with desired functionalities and engineer their properties precisely. This requires deeper understanding of if the properties of building blocks e.g. single molecules can be translated to many molecule junctions in the form of self-assembled monolayers (SAM). Therefore, understanding the effect of intermolecular interaction becomes important. In this paper, we study the effect of intermolecular interactions on the charge transport and thermoelectric properties of junctions formed by parallel molecules between metallic electrodes. We demonstrate that the electrical conductance and Seebeck coefficient are enhanced simultaneously leading to more than an order of magnitude enhancement of power factor as a result of intermolecular coupling between two molecules of the same kind or different. This strategy can be used to improve the thermoelectric performance of SAMs by engineering their packing density.