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Data Science Guided Experiments Identify Conjugated Polymer Solution Concentration as a Key Parameter in Device Performance
ACS Materials Letters ( IF 11.4 ) Pub Date : 2021-08-11 , DOI: 10.1021/acsmaterialslett.1c00320
Rahul Venkatesh 1 , Yulong Zheng 2 , Campbell Vierson 2 , Aaron Liu 1 , Carlos Silva 2, 3, 4 , Martha Grover 1 , Elsa Reichmanis 5
Affiliation  

Curating and analyzing centralized data repositories is a valuable approach in resolving the issue of reproducibility, gaining new insights and guiding future experiments, especially in the field of nanomaterials research. In this work, a data set containing processing information and mobility values of 115 DPP-DTT-based organic field effect transistors (OFET) was constructed from 15 publications. A customized classification algorithm was applied to the data set to help identify a reduced design region for polymer solution concentration that would be more likely to result in improved hole mobility. Experiments performed to confirm the insights from the data curation exercise revealed a strong influence of solution concentration on the polymer chain excitonic interactions and electronic performance. Devices fabricated at the critical chain overlap concentration of 5 g/L in chlorobenzene resulted in improved hole mobility, and were in good agreement with the insights provided by the classification algorithm.

中文翻译:

数据科学指导实验将共轭聚合物溶液浓度确定为器件性能的关键参数

管理和分析集中式数据存储库是解决可重复性问题、获得新见解和指导未来实验的宝贵方法,尤其是在纳米材料研究领域。在这项工作中,从 15 个出版物构建了一个包含 115 个基于 DPP-DTT 的有机场效应晶体管 (OFET) 的处理信息和迁移率值的数据集。将定制的分类算法应用于数据集,以帮助确定聚合物溶液浓度的减小设计区域,该区域更有可能提高空穴迁移率。为确认数据管理练习中的见解而进行的实验揭示了溶液浓度对聚合物链激子相互作用和电子性能的强烈影响。
更新日期:2021-09-06
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