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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers
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Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers

机译:用于有机聚合物中极化子驱动热电效应的低温塞贝克系数

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摘要

We report the results of electronic structure coupled to molecular dynamics simulations on organic polymers subject to a temperature gradient at low temperature regimes. The temperature gradient is introduced using a Langevin-type dynamics corrected for quantum effects, which are very important in these systems. Under this condition we were able to determine that in these no-impurity systems the Seebeck coefficient is in the range of 1-3 mu V/K. These results are in good agreement with reported experimental results under the same low-temperature conditions.
机译:我们报告了在低温条件下受温度梯度影响的有机聚合物上电子结构与分子动力学模拟耦合的结果。使用针对量子效应校正的Langevin型动力学引入温度梯度,这在这些系统中非常重要。在这种条件下,我们能够确定在这些无杂质系统中,塞贝克系数在1-3μV / K的范围内。这些结果与在相同的低温条件下报道的实验结果非常吻合。

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