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Title of Journal: J Mol Model

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Abbravation: Journal of Molecular Modeling

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Springer Berlin Heidelberg

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DOI

10.1002/star.19940461207

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0948-5023

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The charge mobilities in fused ring Oligothiophene

Authors: Yujuan Liu Xiaoyan Liu Jindou Huang Jianyong Liu Shijie Xie Yujun Zheng
Publish Date: 2016/07/15
Volume: 22, Issue: 8, Pages: 182-
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Abstract

Fused ring oligothiophenes and their derivatives as active organic semiconductors are widely used in electronic devices The influence of molecular conjunction length on reorganization energy electronic coupling and charge mobility of two fused ring oligothiophenes are investigated theoretically The charge mobility of 2 5dithiophen2ylthieno 3 2bthiophene T−T2−T with longer molecular conjunction length is 0226 cm2V−1s−1 which is nearly 3 times larger than that of 2 2bithieno3 2bthiophene T2−T2 as 0085 cm2V−1s−1 The investigation will provide a new perspective to design high mobility organic semiconductors

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