Developing molecular-level models for organic field-effect transistors

作     者：Haoyuan Li Jean-Luc Brédas Haoyuan Li;Jean-Luc Brédas

作者机构：School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology Department of Chemistry and BiochemistryUniversity of Arizona 

出 版 物：《National Science Review》 (国家科学评论(英文版))

年 卷 期：2021年第8卷第4期

页      面：167-180页

核心收录：

学科分类：080903[工学-微电子学与固体电子学] 081704[工学-应用化学] 0809[工学-电子科学与技术（可授工学、理学学位）] 07[理学] 08[工学] 0817[工学-化学工程与技术] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by the University of Arizona and the Georgia Institute of Technology 

主　　题：organic semiconductors charge transport kinetic Monte Carlo simulations mobility measurements gradual channel approximation 

摘      要：Organic field-effect transistors(OFETs) are not only functional devices but also represent an important tool for measuring the charge-transport properties of organic semiconductors(OSs). Thus, efforts to understand the performance and characteristics of OFET devices are not only useful in helping achieve higher device efficiencies but also critical to ensuring accuracy in the evaluations of OS charge *** studies rely on OFET device models, which connect the measured current characteristics to the properties of the OSs. Developing such OFET models requires good knowledge of the charge-transport processes in OSs. In device active layers, the OS thin films are either amorphous(e.g. in organic light-emitting diodes and organic solar cells) or crystalline(e.g. those optimized for charge transport in OFETs). When the electronic couplings between adjacent OS molecules or polymer chain segments are weak, the charge-transport mechanism is dominated by hopping processes, which is the context in which we frame the discussion in this Review. Factors such as disorder, mobility anisotropy, traps, grain boundaries or film morphology all impact charge transport. To take these features fully into account in an OFET device model requires considering a nano-scale, molecular-level resolution. Here, we discuss the recent development of such molecular-resolution OFET models based on a kinetic Monte Carlo approach relevant to the hopping regime. We also briefly describe the applicability of these models to high-mobility OFETs,where we underline the need to extend them to incorporate aspects related to charge delocalization.