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Quantifying Molecular Disorder in Tri-Isopropyl Silane (TIPS) Pentacene Using Variable Coherence Transmission Electron Microscopy
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2023-09-06 , DOI: 10.1021/acs.jpclett.3c01344 F Alanazi 1 , A S Eggeman 2 , K Stavrou 1 , A Danos 1 , A P Monkman 1 , B G Mendis 1
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2023-09-06 , DOI: 10.1021/acs.jpclett.3c01344 F Alanazi 1 , A S Eggeman 2 , K Stavrou 1 , A Danos 1 , A P Monkman 1 , B G Mendis 1
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Structural disorder in molecular crystals is a fundamental limitation for achieving high charge carrier mobilities. Quantifying and uncovering the mechanistic origins of disorder are, however, extremely challenging. Here we use variable coherence transmission electron microscopy to analyze disorder in tri-isopropyl silane pentacene films, utilizing diffuse scattering that is present both as linear streaks and as a slowly varying, isotropic background. The former is due to thermal vibration of the pentacene molecules along their long axis, while the latter is due to static defects kinetically frozen during film deposition. The thermal vibrational amplitude is ∼0.4 Å, while the static displacement parameter in our simplified analysis is much larger (1.0 Å), because it represents the cumulative scattering of all defect configurations that are frozen in the film. Thin film fabrication therefore has an important effect on crystallinity; our technique can be readily used to compare samples prepared under different conditions.
中文翻译：
使用可变相干透射电子显微镜定量三异丙基硅烷 (TIPS) 并五苯中的分子无序
分子晶体中的结构无序是实现高载流子迁移率的基本限制。然而，量化和揭示无序的机械起源极具挑战性。在这里，我们使用可变相干透射电子显微镜来分析三异丙基硅烷并五苯薄膜中的无序，利用以线性条纹和缓慢变化的各向同性背景存在的漫散射。前者是由于并五苯分子沿其长轴的热振动，而后者是由于薄膜沉积过程中动态冻结的静态缺陷。热振动幅度为~0.4 Å，而我们简化分析中的静态位移参数要大得多（1.0 Å），因为它代表了薄膜中冻结的所有缺陷配置的累积散射。因此，薄膜制造对结晶度具有重要影响；我们的技术可以很容易地用于比较在不同条件下制备的样品。
更新日期：2023-09-06
中文翻译：
使用可变相干透射电子显微镜定量三异丙基硅烷 (TIPS) 并五苯中的分子无序
分子晶体中的结构无序是实现高载流子迁移率的基本限制。然而，量化和揭示无序的机械起源极具挑战性。在这里，我们使用可变相干透射电子显微镜来分析三异丙基硅烷并五苯薄膜中的无序，利用以线性条纹和缓慢变化的各向同性背景存在的漫散射。前者是由于并五苯分子沿其长轴的热振动，而后者是由于薄膜沉积过程中动态冻结的静态缺陷。热振动幅度为~0.4 Å，而我们简化分析中的静态位移参数要大得多（1.0 Å），因为它代表了薄膜中冻结的所有缺陷配置的累积散射。因此，薄膜制造对结晶度具有重要影响；我们的技术可以很容易地用于比较在不同条件下制备的样品。
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