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Modulating the charge injection in organic field-effect transistors: fluorinated oligophenyl self-assembled monolayers for high work function electrodes

机译:调制有机场效应晶体管中的电荷注入:氟化低聚苯基自组装单层,用于高功函数电极

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摘要

The rapid increase in charge carrier mobility in organic field-effect transistors (OFETs) in the past few years, with a number of reports >10 cm2 V−1 s−1, calls for a simultaneous improvement in charge injection at the electrode–semiconductor interface. Chemical modification of the electrodes with self-assembled monolayers (SAMs) allows the optimization of three key properties for lowering the contact resistance, thus fine-tuning the charge injection into OFET channels: the electrode work function, the surface energy of the modified electrodes and tunnelling resistance of the SAM. Understanding of the interplay of these properties is of vital importance for organic device design. In this paper, we report a model study based on the modulation of all three of these properties via chemisorption of fluorinated mono- or biphenylthiol molecules (PFBT and PF2BT, respectively) onto gold electrodes. Density functional theory simulations confirm the higher work function of the PFBT monolayers compared to PF2BT and provide evidence that this work function difference is entirely due to differences in the bond dipole to the gold surface. This observation is of importance for the development of future SAM molecules both for organic electronics and across the field of surface chemistry. Incorporation of these SAM-modified Au surfaces as the source and drain electrodes of an OFET with prototypical polymer semiconductors exhibiting different transport levels makes it possible to unravel the role of energetic alignment as well as surface energy and tunnelling resistance on the device performance. Interestingly, our results show that it is not always the high work function PFBT-modified electrodes that give the lowest contact resistance.\ud
机译:在过去的几年中,有机场效应晶体管(OFET)的载流子迁移率迅速提高,有许多报道> 10 cm2 V-1 s-1,要求同时改善电极-半导体上的电荷注入接口。使用自组装单分子层(SAMs)对电极进行化学修饰可以优化三个关键特性,以降低接触电阻,从而微调电荷注入到OFET通道中:电极功函数,修饰电极的表面能和SAM的隧穿电阻。了解这些特性之间的相互作用对于有机器件设计至关重要。在本文中,我们报告了基于对这三个特性进行调制的模型研究,这些特性是通过将氟化的单或联苯硫醇分子(分别为PFBT和PF2BT)化学吸附到金电极上而实现的。密度泛函理论仿真证实了与PF2BT相比,PFBT单层具有更高的逸出功,并提供了证据表明该逸出功差异完全是由于与金表面的键合偶极子不同。该观察对于开发用于有机电子学和整个表面化学领域的未来SAM分子至关重要。将这些SAM修饰的Au表面作为OFET的源极和漏极与表现出不同传输水平的原型聚合物半导体结合在一起,就有可能阐明高能取向以及表面能和隧穿电阻对器件性能的作用。有趣的是,我们的结果表明,并非总是具有最高功函数的PFBT修饰电极能够提供最低的接触电阻。

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