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Gate voltage impact on charge mobility in end-on stacked conjugated oligomers
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020/03/25 , DOI: 10.1039/c9cp06477j Shih-Jye Sun 1, 2, 3, 4, 5 , Miroslav Menšík 6, 7, 8, 9, 10 , Petr Toman 6, 7, 8, 9, 10 , Cheng-Han Chung 1, 2, 3 , Chimed Ganzorig 11, 12, 13, 14 , Jiří Pfleger 6, 7, 8, 9, 10
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2020/03/25 , DOI: 10.1039/c9cp06477j Shih-Jye Sun 1, 2, 3, 4, 5 , Miroslav Menšík 6, 7, 8, 9, 10 , Petr Toman 6, 7, 8, 9, 10 , Cheng-Han Chung 1, 2, 3 , Chimed Ganzorig 11, 12, 13, 14 , Jiří Pfleger 6, 7, 8, 9, 10
Affiliation
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We present a model of the charge transport in thin film organic field-effect transistors with the active channel made of linear conjugated chains stacked on the substrate with end-on-orientation. The transport was simulated in a box consisting of 25 polymer chains, in which the delocalized quantum orbital eigenstates of the on-chain hole distribution were calculated. The inter-chain charge transfer was solved semi-classically. The full self-consistent distribution of charge density and electric field was determined for various applied gate and source–drain voltages. We found that the dependence of charge mobility on gate voltage is not monotonic: it first increases with increasing gate voltage for a limited interval of the latter, otherwise it decreases with the gate voltage. Next, we found formation of the second resonant peak for higher gate voltages. The mobility dependence on the gate voltage confirmed that the current flowing through the active semiconductor layer should be described not only as the hole transfer between adjacent repeat units of the neighbouring chains, but also as the transfer of coherences among on-chain repeat units. The presented model can also give a new insight into the charge transport in organic field-effect transistors with a novel vertical architecture.
中文翻译：
栅极电压对末端叠置共轭低聚物中电荷迁移率的影响
我们提出了一种薄膜有机场效应晶体管中电荷传输的模型，其中有源通道由线性共轭链制成，并以端对端方向堆叠在基板上。在由25条聚合物链组成的盒子中模拟了输运，在其中计算了链上孔分布的离域量子轨道本征态。链间电荷转移是半经典解决的。确定了各种施加的栅极和源极-漏极电压的电荷密度和电场的完全自洽分布。我们发现电荷迁移率对栅极电压的依赖性不是单调的：它首先在栅极电压的有限间隔内随栅极电压的增加而增加，否则随栅极电压的降低而减小。下一个，我们发现，较高的栅极电压会形成第二个谐振峰。迁移率对栅极电压的依赖性证实，流过有源半导体层的电流不仅应描述为相邻链的相邻重复单元之间的空穴转移，还应描述为链上重复单元之间的相干性转移。提出的模型还可以通过新颖的垂直架构为有机场效应晶体管中的电荷传输提供新的见解。
更新日期：2020-04-15
中文翻译：
栅极电压对末端叠置共轭低聚物中电荷迁移率的影响
我们提出了一种薄膜有机场效应晶体管中电荷传输的模型，其中有源通道由线性共轭链制成，并以端对端方向堆叠在基板上。在由25条聚合物链组成的盒子中模拟了输运，在其中计算了链上孔分布的离域量子轨道本征态。链间电荷转移是半经典解决的。确定了各种施加的栅极和源极-漏极电压的电荷密度和电场的完全自洽分布。我们发现电荷迁移率对栅极电压的依赖性不是单调的：它首先在栅极电压的有限间隔内随栅极电压的增加而增加，否则随栅极电压的降低而减小。下一个，我们发现，较高的栅极电压会形成第二个谐振峰。迁移率对栅极电压的依赖性证实，流过有源半导体层的电流不仅应描述为相邻链的相邻重复单元之间的空穴转移，还应描述为链上重复单元之间的相干性转移。提出的模型还可以通过新颖的垂直架构为有机场效应晶体管中的电荷传输提供新的见解。
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