Journal:Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database
| Full article title | Exploration of organic superionic glassy conductors by process and materials informatics with lossless graph database |
|---|---|
| Journal | npj Computational Materials |
| Author(s) | Hatakeyama-Sato, Kan; Umeki, Momoka; Adachi, Hiroki; Kuwata, Naoaki; Hasegawa, Gen; Oyaizu, Kenichi |
| Author affiliation(s) | Waseda University, National Institute for Materials Science |
| Primary contact | Email: oyaizu at waseda dot jp |
| Year published | 2022 |
| Volume and issue | 8 |
| Article # | 170 |
| DOI | 10.1038/s41524-022-00853-0 |
| ISSN | 2057-3960 |
| Distribution license | Creative Commons Attribution 4.0 International |
| Website | https://www.nature.com/articles/s41524-022-00853-0 |
| Download | https://www.nature.com/articles/s41524-022-00853-0.pdf (PDF) |
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This article should be considered a work in progress and incomplete. Consider this article incomplete until this notice is removed. |
Abstract
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 (ELNs). 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 to 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.
Keywords: materials science, materials informatics, electronic laboratory notebook, data sharing
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This presentation is faithful to the original, with only a few minor changes to presentation. In some cases important information was missing from the references, and that information was added.
