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通过高通量方法构建的小分子半导体集成系统。

Integrated System Built for Small-Molecule Semiconductors via High-Throughput Approaches.

作者信息

Wu Jianchang, Zhang Jiyun, Hu Manman, Reiser Patrick, Torresi Luca, Friederich Pascal, Lahn Leopold, Kasian Olga, Guldi Dirk M, Pérez-Ojeda M Eugenia, Barabash Anastasia, Rocha-Ortiz Juan S, Zhao Yicheng, Xie Zhiqiang, Luo Junsheng, Wang Yunuo, Seok Sang Il, Hauch Jens A, Brabec Christoph J

机构信息

Forschungszentrum Jülich GmbH, Helmholtz-Institute Erlangen-Nürnberg (HI-ERN), Immerwahrstraße 2, 91058 Erlangen, Germany.

Faculty of Engineering, Department of Material Science, Materials for Electronics and Energy Technology (i-MEET), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Martensstrasse 7, 91058 Erlangen, Germany.

出版信息

J Am Chem Soc. 2023 Aug 2;145(30):16517-16525. doi: 10.1021/jacs.3c03271. Epub 2023 Jul 19.

Abstract

High-throughput synthesis of solution-processable structurally variable small-molecule semiconductors is both an opportunity and a challenge. A large number of diverse molecules provide a possibility for quick material discovery and machine learning based on experimental data. However, the diversity of the molecular structure leads to the complexity of molecular properties, such as solubility, polarity, and crystallinity, which poses great challenges to solution processing and purification. Here, we first report an integrated system for the high-throughput synthesis, purification, and characterization of molecules with a large variety. Based on the principle "Like dissolves like," we combine theoretical calculations and a robotic platform to accelerate the purification of those molecules. With this platform, a material library containing 125 molecules and their optical-electronic properties was built within a timeframe of weeks. More importantly, the high repeatability of recrystallization we design is a reliable approach to further upgrading and industrial production.

摘要

溶液可加工的结构可变小分子半导体的高通量合成既是一个机遇也是一项挑战。大量不同的分子为基于实验数据的快速材料发现和机器学习提供了可能。然而,分子结构的多样性导致了分子性质的复杂性,如溶解性、极性和结晶性,这对溶液加工和纯化提出了巨大挑战。在此,我们首次报道了一个用于高通量合成、纯化和表征多种分子的集成系统。基于“相似相溶”原理,我们结合理论计算和机器人平台来加速这些分子的纯化。利用这个平台,在数周的时间内建立了一个包含125种分子及其光电性质的材料库。更重要的是,我们设计的重结晶的高重复性是进一步升级和工业化生产的可靠方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3a9/10401720/a094abb37367/ja3c03271_0002.jpg

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