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Controlling the Thermoelectric Properties of Organometallic Coordination Polymers via Ligand Design

机译:通过配体设计控制有机金属配位聚合物的热电性能

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Organometallic coordination polymers (OMCPs) are a promising class of thermoelectric materials with high electrical conductivities and thermal resistivities. The design criteria for these materials, however, remain elusive and so far material modifications have been focused primarily on the nature of the metal cation to tune the thermoelectric properties. Herein, an alternative approach is described by synthesizing new organic ligands for OMCPs, allowing modulation of the thermoelectric properties of the novel OMCP materials over several orders of magnitude, as well as controlling the polarity of the Seebeck coefficient. Extensive material purification combined with spectroscopy experiments and calculations furthermore reveal the charge-neutral character of the polymer backbones. In the absence of counter-cations, the OMCP backbones are composed of air-stable, ligand-centered radicals. The findings open up new synthetic possibilities for OMCPs by removing structural constraints and putting significant emphasis on the molecular structure of the organic ligands in OMCP materials to tune their thermoelectric properties.
机译:有机金属配位聚合物(OMCP)是具有高电导率和热电阻的有前途的热电材料。然而,这些材料的设计标准仍然难以捉摸,因此迄今为止的材料修改主要集中在金属阳离子的性质上,以调谐热电性能。这里,通过合成OMCP的新有机配体来描述一种替代方法,允许在几个数量级上进行新的OMCP材料的热电性能,以及控制塞贝克系数的极性。大量的材料纯化结合光谱实验和计算,还揭示了聚合物骨架的电荷中性特征。在没有对抗阳离子的情况下,OMCP骨架由空气稳定的配体中心基团组成。该发现通过去除结构约束,对OMCP进行新的合成可能性,并对OMCP材料中有机配体的分子结构进行显着强调来调谐其热电性质。

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