Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database
Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database
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DOI：
10.1038/s41524-022-00853-0
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发表时间：
2022-08-17
影响因子：
9.7
通讯作者：
Oyaizu, Kenichi
中科院分区：
文献类型：
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作者：
Hatakeyama-Sato, Kan;Umeki, Momoka;Oyaizu, Kenichi
数据驱动的材料探索是一种突破性的研究方式;然而，日常实验结果很难记录、分析和共享。我们报告了一个数据平台，该数据平台在电子实验室笔记本中以图形的形式描述了结构、性质和过程之间的关系。作为一个模型项目，通过记录500多个不同的实验来探索有机超离子玻璃导体。自动数据分析揭示了显著的室温离子电导率为10（-4）-10（-3）S cm（-1）和Li+迁移数约为0.8的基本因素。与以前的材料研究不同，每个人都可以在公共存储库中访问所有实验结果，包括图形，原始测量数据和数据处理系统。直接数据共享将改善科学交流，加速材料知识的整合。
Data-driven material exploration is a ground-breaking research style; however, daily experimental results are difficult to record, analyze, and share. We report a data platform that losslessly describes the relationships of structures, properties, and processes as graphs in electronic laboratory notebooks. As a model project, organic superionic glassy conductors were explored by recording over 500 different experiments. Automated data analysis revealed the essential factors for a remarkable room temperature ionic conductivity of 10(-4)-10(-3) S cm(-1) and a Li+ transference number of around 0.8. In contrast to previous materials research, everyone can access all the experimental results, including graphs, raw measurement data, and data processing systems, at a public repository. Direct data sharing will improve scientific communication and accelerate integration of material knowledge.