Sosorev Andrey Yu, Parashchuk Olga D, Tukachev Nikita V, Maslennikov Dmitry R, Dominskiy Dmitry I, Borshchev Oleg V, Polinskaya Marina S, Skorotetcky Maxim S, Kharlanov Oleg G, Paraschuk Dmitry Yu
Institute of Spectroscopy of the Russian Academy of Sciences, Fizicheskaya Str., 5, Troitsk, Moscow 108840, Russia.
Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory 1/62, Moscow 119991, Russia.
Phys Chem Chem Phys. 2021 Jul 28;23(29):15485-15491. doi: 10.1039/d1cp01599k.
Dynamic disorder manifested in fluctuations of charge transfer integrals considerably hinders charge transport in high-mobility organic semiconductors. Accordingly, strategies for suppression of the dynamic disorder are highly desirable. In this study, we suggest a novel promising strategy for suppression of dynamic disorder-tuning the molecular electrostatic potential. Specifically, we show that the intensities of the low-frequency (LF) Raman spectra for crystalline organic semiconductors consisting of π-isoelectronic small molecules (i.e. bearing the same number of π electrons)-benzothieno[3,2-b][1]benzothiophene (BTBT), chrysene, tetrathienoacene (TTA) and naphtho[1,2-b:5,6-b']dithiophene (NDT)-differ significantly, indicating significant differences in the dynamic disorder. This difference is explained by suppression of the dynamic disorder in chrysene and NDT because of stronger intermolecular electrostatic interactions. As a result, guidelines for the increase of the crystal rigidity for the rational design of high-mobility organic semiconductors are suggested.
电荷转移积分波动中表现出的动态无序极大地阻碍了高迁移率有机半导体中的电荷传输。因此，非常需要抑制动态无序的策略。在本研究中，我们提出了一种抑制动态无序的新的有前景的策略——调节分子静电势。具体而言，我们表明，由π等电子小分子（即具有相同数量的π电子）组成的结晶有机半导体——苯并噻吩并[3,2-b][1]苯并噻吩（BTBT）、苊、四噻吩并苊（TTA）和萘并[1,2-b:5,6-b']二噻吩（NDT）——的低频（LF）拉曼光谱强度存在显著差异，这表明动态无序存在显著差异。这种差异可以通过苊和NDT中由于更强的分子间静电相互作用而抑制动态无序来解释。结果，提出了用于合理设计高迁移率有机半导体的提高晶体刚性的指导原则。
