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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Steric self-assembly of laterally confined organic semiconductor molecule analogues
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Steric self-assembly of laterally confined organic semiconductor molecule analogues

机译：横向受限有机半导体分子类似物的立体自组装

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摘要

Self-assembly of planar molecules can be a critical route to control morphology in organic optoelectronic systems. In this study, Monte Carlo simulations were performed with polygonal disc analogues to planar semiconducting molecules under confinement. By examining statistically the molecular density and configurations of such analogues, we have observed that the symmetry of the confining medium can have a greater impact on the final densified particle configurations than the intramolecular interactions. Using the steric frustration imparted by confinement, novel self-assembled (partially) ordered phases are available. Our Monte Carlo simulations suggest new avenues to control ordering and morphology of planar molecules, which are critical for high-performance organic optoelectronic devices.
机译：平面分子的自组装可能是控制有机光电系统中形态的关键途径。在这项研究中，蒙特卡罗模拟是用多边形圆盘类似物对平面半导体分子在限制条件下进行的。通过统计检查此类类似物的分子密度和构型，我们观察到，与分子内相互作用相比，约束介质的对称性对最终的致密颗粒构型的影响更大。利用限制所带来的空间挫折感，可获得新型的自组装（部分）有序相。我们的蒙特卡洛模拟法提出了控制平面分子有序化和形态的新途径，这对于高性能有机光电器件至关重要。

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