Here we have investigated the influence of the molecular length and structure of a series of BTI-based semiconductors on the stabilization of charged states in solution by in situ UV/Vis/NIR spectroelectrochemistry and in the solid state, at the active interface of operational OFET devices, by charge modulation spectroscopy (CMS). Interestingly, we found that charge stabilization in the shortest system of the series (BTI2) is strongly favored via a π-dimer formation which, in addition to higher thin film microstructural ordering, results in a greater electron mobility in organic field effect transistors (OFETs). The experimental results were interpreted using TD-DFT and DFT quantum chemical calculations at different levels of theory.

中文翻译：

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梯型联噻吩酰亚胺基有机半导体：了解有机场效应晶体管中的电荷传输机制

在这里，我们研究了一系列基于BTI的半导体的分子长度和结构对通过原位UV / Vis / NIR光谱电化学方法以及固态在溶液中的荷电状态稳定化的影响，这些原子在操作的OFET活性界面上设备，通过电荷调制光谱（CMS）。有趣的是，我们发现通过π-二聚体形成，该系列最短系统（BTI2）的电荷稳定得到了极大的支持，除了更高的薄膜微结构有序性之外，还导致有机场效应晶体管（OFET）的电子迁移率更高）。在不同的理论水平上使用TD-DFT和DFT量子化学计算来解释实验结果。