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Pyrazino[2,3-g]quinoxaline core-based organic liquid crystalline semiconductor: Proficient hole transporting material for optoelectronic devices
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2023-11-15 , DOI: 10.1016/j.molliq.2023.123535
Asmita Shah , Vinod Kumar Vishwakarma , Neichoihoi Lhouvum , Achalkumar Ammathnadu Sudhakar , Pawan Kumar , Abhishek Kumar Srivastava , Frederic Dubois , Treerathat Chomchok , Nattaporn Chattham , Dharmendra Pratap Singh

Hole transport materials (HTMs) have a significant impact on the effectiveness of organic electronic devices; therefore, we present a molecular architecture of pyrazino[2,3-g]quinoxaline (PQ10)-based room-temperature organic liquid crystalline semiconductor (OLCS) as an alternative HTM. The PQ10 compound exhibits three different rectangular columnar (Colr) phases offering an impressive hole mobility of 8.8 × 10−3 cm2V−1s−1 which is found to be dexterous than most of existing polymeric hole transport materials. The charge transport mechanism is governed by the hole polarons hopping through H-aggregates of the PQ10 molecules and the hole mobility remains nearly constant throughout the mesophase range, but it decreases with increasing applied electric field. The current-voltage characteristics of the PQ10 have also been investigated in all three Colr phases and explained via the Poole-Frenkel conduction mechanism. The dielectric spectroscopy has been eventually carried out to understand the nature of dielectric permittivity and conductivity as a function of temperature and a correlation is established between the molecular architecture of the Colr phases and aforementioned physical properties. Solar cell simulation has been additionally performed to demonstrate that the PQ10 material can be a better choice as HTM for organic electronics and photovoltaic applications.



中文翻译:

吡嗪并[2,3-g]喹喔啉核基有机液晶半导体:用于光电器件的高效空穴传输材料

空穴传输材料(HTM)对有机电子器件的有效性具有重大影响;因此,我们提出了一种基于吡嗪并[2,3-g]喹喔啉(PQ10)的室温有机液晶半导体(OLCS)分子结构作为替代HTM。PQ10化合物表现出三种不同的矩形柱状(Col r )相,提供令人印象深刻的8.8 × 10 -3 cm 2 V -1 s -1的空穴迁移率,这比大多数现有的聚合物空穴传输材料更灵巧。电荷传输机制由通过PQ10分子的 H 聚集体跳跃的空穴极化子控制,空穴迁移率在整个中间相范围内几乎保持恒定,但随着施加电场的增加而降低。PQ10的电流-电压特性也在所有三个 Col r相中进行了研究,并通过 Poole-Frenkel 传导机制进行了解释。最终通过介电谱来了解介电常数和电导率随温度变化的性质,并在 Col r相的分子结构和上述物理性质之间建立了相关性。另外还进行了太阳能电池模拟,以证明PQ10材料可以成为有机电子和光伏应用的 HTM 的更好选择。

更新日期:2023-11-15
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