Materials genome project: Mining the ionic conductivity in oxide perovskites
| Autor: | H. Aourag, Mohamed Boubchir |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Work (thermodynamics)
Materials science Mechanical Engineering Oxide Ionic bonding 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences chemistry.chemical_compound chemistry Chemical engineering Mechanics of Materials Principal component analysis Fast ion conductor Ionic conductivity General Materials Science Solid oxide fuel cell 0210 nano-technology Electrical conductor |
| Zdroj: | Materials Science and Engineering: B. 267:114984 |
| ISSN: | 0921-5107 |
| DOI: | 10.1016/j.mseb.2020.114984 |
| Popis: | We present in this work a strategy for predicting new oxide perovskites with the potential for achieving high ionic conductivity for applications as a solid oxide fuel cell (SOFC). We employ a throughout multivariate technique based the principal component analysis (PCA) and the partial least square methods (PLS) in order to identify empirical design rules (activation and migration energies) for stable ionic conductors. Among the 892 tested hypothetical oxide perovskites, which yet to be experimentally synthetized, ~150 compounds may exhibit an interesting potential as ionic conductors. These results may serve as a map for the design of perovskite-related solid electrolytes. |
| Databáze: | OpenAIRE |
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