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High Seebeck Coefficient in Mixtures of Conjugated Polymers

机译：共轭聚合物混合物中的高塞贝克系数

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摘要

A universal method to obtain record-high electronic Seebeck coefficients is demonstrated while preserving reasonable conductivities in doped blends of organic semiconductors through rational design of the density of states (DOSs). A polymer semiconductor with a shallow highest occupied molecular orbital (HOMO) level-poly(3-hexylthiophene) (P3HT) is mixed with materials with a deeper HOMO (PTB7, TQ1) to form binary blends of the type P3HT(x):B1-x (0 = x = 1) that is p-type doped by F(4)TCNQ. For B = PTB7, a Seebeck coefficient S = 1100 mu V K-1 with conductivity sigma = 0.3 S m(-1) at x = 0.10 is achieved, while for B = TQ1, S = 2000 mu V K-1 and sigma = 0.03 S m(-1) at x = 0.05 is found. Kinetic Monte Carlo simulations with parameters based on experiments show good agreement with the experimental results, confirming the intended mechanism. The simulations are used to derive a design rule for parameter tuning. These results can become relevant for low-power, low-cost applications like (providing power to) autonomous sensors, in which a high Seebeck coefficient translates directly to a proportionally reduced number of legs in the thermogenerator, and hence in reduced fabrication cost and complexity.
机译：通过合理设计态密度（DOS），在保持有机半导体掺杂共混物的合理电导率的同时，展示了一种获得创纪录的电子Seebeck系数的通用方法。将具有较浅最高占据分子轨道（HOMO）能级的聚合物半导体-聚（3-己基噻吩）（P3HT）与具有较深HOMO（PTB7，TQ1）的材料混合以形成P3HT（x）：B1类型的二元共混物-x（0 <= x <= 1），是由F（4）TCNQ掺杂的p型。对于B = PTB7，在x = 0.10时电导率sigma = 0.3 S m（-1）的塞贝克系数S = 1100μV K-1，而对于B = TQ1，S = 2000μV K-1和sigma在x = 0.05时= 0.03 S m（-1）。基于实验的动力学蒙特卡洛模拟结果与实验结果吻合良好，证实了预期的机理。仿真用于得出参数调整的设计规则。这些结果可能与诸如自主传感器（向其提供功率）之类的低功率，低成本应用相关，在该应用中，高塞贝克系数直接转化为成比例减少的热发生器中的支脚数量，因此降低了制造成本和复杂性。

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