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

Kan Hatakeyama-Sato*, Momoka Umeki, Hiroki Adachi, Naoaki Kuwata, Gen Hasegawa, Kenichi Oyaizu

*この研究の対応する著者

研究成果: Article査読

抄録

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.

本文言語English
論文番号170
ジャーナルnpj Computational Materials
8
1
DOI
出版ステータスPublished - 2022 12月

ASJC Scopus subject areas

  • モデリングとシミュレーション
  • 材料科学(全般)
  • 材料力学
  • コンピュータ サイエンスの応用

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