Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database.

Autor: Hatakeyama-Sato, Kan, Umeki, Momoka, Adachi, Hiroki, Kuwata, Naoaki, Hasegawa, Gen, Oyaizu, Kenichi
Předmět:
Zdroj: NPJ Computational Materials; 8/17/2022, Vol. 8 Issue 1, p1-8, 8p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index