Bandlike versus Temperature-Independent Carrier Transport in Isomeric Diphenyldinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophenes
Bandlike versus Temperature-Independent Carrier Transport in Isomeric Diphenyldinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophenes
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DOI：
10.1021/acsmaterialslett.2c00084
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发表时间：
2022-03
影响因子：
11.4
通讯作者：
K. Takimiya;Kirill Bulgarevich;S. Horiuchi;Aoi Sato;Kohsuke Kawabata
中科院分区：
文献类型：
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作者：
K. Takimiya;Kirill Bulgarevich;S. Horiuchi;Aoi Sato;Kohsuke Kawabata
具有高迁移率的有机半导体材料的开发是有机电子学的关键问题之一。尽管在过去的二十年中已经见证了显示出高于1cm 2 V-1 s-1的迁移率的上级有机半导体，但是认为显示出带状载流子传输的有机半导体有希望实现非常高的迁移率（>10 cm 2 V-1 s-1）。本文以二萘并[2，3-B：2′，3 ′-f]噻吩并[3，2-B]噻吩（DNTTs）的两个区域异构联苯衍生物，2，9-和3，10-二苯基-DNTT（分别为2，9-DPh-DNTT和3，10-DPh-DNTT），据报道其薄膜迁移率约为1 cm 2 V-1 s-1，以比较通过分子动力学（MD）模拟估计的动态无序效应和通过单晶场效应晶体管（SC-FET）评估的固有迁移率。虽然它们在薄膜FET上报道的迁移率和跳跃模型描述的静态电子结构方面彼此相似，但本方法与MD模拟和SC-FET突出了区域异构体之间的特征差异;固态的2，9-DPh-DNTT的电子结构不受显著的热影响，而对于3，10-DPh-DNTT的分子间转移积分显着受热搅动，这意味着后者是敏感的动力学无序。此外，基于2，9-DPh-DNTT的SC-FET不仅显示出14 cm 2 V-1 s-1（平均）的非常高的迁移率，而且还显示出迁移率的带状温度依赖性，这与3，10-DPh-DNTT的中等高的迁移率（平均6 cm 2 V-1 s-1）和温度无关的输运行为形成鲜明对比。我们可以说，目前的方法相结合的MD模拟和SC-FET可以是一种有效的方法，找到有前途的有机半导体，潜在的带状传输，即一条道路，以“超高迁移率”的有机半导体。
The development of promising organic semiconductors showing very high mobility has been one of the key issues in the organic electronics. Although the last two decades have witnessed superior organic semiconductors showing mobilities higher than 1 cm2V–1s–1, it is believed that organic semiconductors showing bandlike carrier transport are promising for achieving very high mobilities (>10 cm2V–1s–1). In the present work, we take two regioisomeric diphenyl derivatives of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophenes (DNTTs),i.e., 2,9- and 3,10-diphenyl-DNTT (2,9-DPh-DNTT and 3,10-DPh-DNTT, respectively), which have been reported to show thin-film mobilities on the order of 1 cm2V–1s–1, to compare the effects of dynamic disorder estimated by molecular dynamics (MD) simulations and intrinsic mobility evaluated by single-crystal field-effect transistors (SC-FETs). Although they were similar to each other in terms of mobility reported on thin-film FETs and the static electronic structures described by the hopping model, the present approach with MD simulations and SC-FETs highlights the characteristic differences between the regioisomers; the electronic structure of 2,9-DPh-DNTT in the solid state is not significantly thermally influenced, whereas for 3,10-DPh-DNTT the intermolecular transfer integrals are markedly affected by thermal agitation, implying that the latter is susceptible to dynamic disorder. Furthermore, 2,9-DPh-DNTT-based SC-FETs showed not only a very high mobility of 14 cm2V–1s–1(on average) but also a bandlike temperature dependence of the mobility, which contrasts sharply with the moderately high mobility of 3,10-DPh-DNTT (6 cm2V–1s–1on average) and temperature-independent transport behavior. We can say that the present approach of combining MD simulations and SC-FETs can be an effective way to find promising organic semiconductors that potentially show bandlike transport, that is, a path to “ultrahigh-mobility” organic semiconductors.