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Non-Wiedemann-Franz behavior of the thermal conductivity of organic semiconductors

机译：有机半导体热导率的非Wiedemann-Franz行为

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摘要

Organic semiconductors have attracted increasing interest as thermoelectric converters in recent years due to their intrinsically low thermal conductivity compared to inorganic materials. This boom has led to encouraging practical results in which the thermal conductivity has predominantly been treated as an empirical number. However, in an optimized thermoelectric material, the electronic component can dominate the thermal conductivity, in which case the figure of merit ZT becomes a function of thermopower and Lorentz factor only. Hence the design of effective organic thermoelectric materials requires understanding the Lorenz number. Here, analytical modeling and kinetic Monte Carlo simulations are combined to study the effect of energetic disorder and length scales on the correlation of electrical and thermal conductivity in organic semiconductor thermoelectrics. We show that a Lorenz factor up to a factor ～5 below the Sommerfeld value can be obtained for weakly disordered systems, in contrast with what has been observed for materials with band transport. Although the electronic contribution dominates the thermal conductivity within the application-relevant parameter space, reaching ZT ＞ 1 would require minimization of both the energetic disorder and also the lattice thermal conductivity to values below κ_(lat) ＜ 0.2 W/mK.
机译：近年来，由于有机半导体与无机材料相比固有的低热导率，有机半导体作为热电转换器吸引了越来越多的兴趣。这种繁荣导致令人鼓舞的实际结果，其中热导率主要被视为经验值。但是，在优化的热电材料中，电子组件可以控制导热系数，在这种情况下，品质因数ZT仅成为热功率和洛伦兹因子的函数。因此，有效的有机热电材料的设计需要了解洛伦兹数。在这里，分析模型和动力学蒙特卡洛模拟相结合，以研究高能紊乱和长度尺度对有机半导体热电学中电导率和热导率相关性的影响。我们表明，对于弱无序系统，可以得到比Sommerfeld值低约5倍的Lorenz因子，这与带传输材料所观察到的相反。尽管电子贡献在与应用相关的参数空间内占主导地位，但要使ZT＞ 1既要使高能紊乱又要使晶格导热率降至κ_（lat）＜0.2 W / mK以下，这是必须的。

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  • 来源
    《Physical review》 |2020年第7期|075206.1-075206.8|共8页
  • 作者

    Dorothea Scheunemann; Martijn Kemerink;

  • 作者单位

    Complex Materials and Devices Department of Physics Chemistry and Biology (IFM) Linköping University 58183 Linköping Sweden;

    Complex Materials and Devices Department of Physics Chemistry and Biology (IFM) Linköping University 58183 Linköping Sweden Centre for Advanced Materials Heidelberg University Im Neuenheimer Feld 225 69120 Heidelberg Germany;

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