Molecular-scale thermoelectricity: as simple as 'ABC'.
Molecular-scale thermoelectricity: as simple as 'ABC'.
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DOI：
10.1039/d0na00772b
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发表时间：
2020-11-11
影响因子：
4.7
通讯作者：
中科院分区：
文献类型：
--
作者：
如果单分子或自组装单层 (SAM) 的塞贝克系数可以仅通过测量其电导电压 (G-V) 特性来预测，那么就可以避免创建测量其热电特性的装置这一实验上更加困难的任务。本文重点介绍了一种通过测量单分子或 SAM 的 G-V 特性来预测其塞贝克系数上限的新策略。该理论首先使用三个拟合参数（表示为 a、b、c）对测量的 G-V 曲线进行拟合。然后，该“ABC”理论预测相应塞贝克系数大小的最大值。这是一个有用的材料参数，因为如果预测的上限很大，则需要使用完整的塞贝克测量设置对材料进行进一步研究。另一方面，如果上限很小，那么该材料就没有前途，并且可以避免这组技术要求更高的测量。将预测的塞贝克系数的直方图与六种不同 SAM 的测量塞贝克系数的直方图进行比较，这六种 SAM 由具有不同锚定基团的蒽基分子形成，并且显示出非常一致。如果单分子或自组装单分子层的塞贝克系数可以仅通过测量其电导电压（G-V）特性来预测，那么就可以避免测量其热电性质的困难实验任务。
If the Seebeck coefficient of single molecules or self-assembled monolayers (SAMs) could be predicted from measurements of their conductance–voltage (G–V) characteristics alone, then the experimentally more difficult task of creating a set-up to measure their thermoelectric properties could be avoided. This article highlights a novel strategy for predicting an upper bound to the Seebeck coefficient of single molecules or SAMs, from measurements of their G–V characteristics. The theory begins by making a fit to measured G–V curves using three fitting parameters, denoted a, b, c. This ‘ABC’ theory then predicts a maximum value for the magnitude of the corresponding Seebeck coefficient. This is a useful material parameter, because if the predicted upper bound is large, then the material would warrant further investigation using a full Seebeck-measurement setup. On the other hand, if the upper bound is small, then the material would not be promising and this much more technically demanding set of measurements would be avoided. Histograms of predicted Seebeck coefficients are compared with histograms of measured Seebeck coefficients for six different SAMs, formed from anthracene-based molecules with different anchor groups and are shown to be in excellent agreement. If the Seebeck coefficient of single molecules or self-assembled monolayers could be predicted from measurements of their conductance–voltage (G–V) characteristics alone, then the difficult experimental task of measuring their thermoelectric properties could be avoided.
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