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首页> 外文期刊>Chemistry of Materials: A Publication of the American Chemistry Society >Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility
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Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility

机译:结构变化对基于二酮基吡咯并吡咯的低聚苯撑噻吩的固态性质的影响:单晶体结构,热性质,光学带隙,能级,薄膜形态和空穴迁移率

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摘要

Five new compounds, based on diketopyrrolopyrrole (DPP) and phenylene thiophene (PT) moieties, were synthesized to investigate the effect of structural variations on solid state properties, such as single-crystal structures, optical absorption, energy levels, thermal phase transitions, film morphology, and hole mobility. The molecular structures were modified by means of (i) backbone length by changing the number of thiophenes on both sides of DPP, (ii) allcyl substitution (n-hexyl or ethylhexyl) on DPP, and (iii) the presence of an n-hexyl group at the end of the molecular backbone. These DPP-based oligophenylenethiophenes were systematically characterized by UV—visible spectroscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), cyclic voltammetry (CV), ultraviolet photoelectron spectroscopy (UPS), atomic force microscopy (AFM), and hole-only diodes. Single-crystal structures were provided to probe insight into structure—property relationships at a molecule level resolution. This work demonstrates the significance of alkyl substitution as well as backbone length in tuning material's solid-state properties.
机译:合成了五种基于二酮吡咯并吡咯(DPP)和亚苯基噻吩(PT)的化合物,以研究结构变化对固态性能的影响,例如单晶结构,光吸收,能级,热相变,薄膜形态和空穴迁移率。分子结构通过(i)通过改变DPP两侧的噻吩数量,(ii)DPP上的烯丙基取代基(正己基或乙基己基)和(iii)存在n-分子骨架末端的己基。这些基于DPP的低聚苯撑噻吩具有紫外可见光谱,差示扫描量热法(DSC),热重分析(TGA),循环伏安法(CV),紫外光电子能谱(UPS),原子力显微镜(AFM)和空穴分析法仅二极管。提供了单晶结构,以在分子水平的分辨率下探究结构与属性之间的关系。这项工作证明了烷基取代以及骨架长度在调节材料的固态特性中的重要性。

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