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Discovery of zirconium dioxides for the design of better oxygen-ion conductors using efficient algorithms beyond data mining
It is important to find crystal structures with low formation (E(v)) and migration-barrier (E(m)) energies for oxygen vacancies for the development of fast oxygen-ion conductors. To identify crystal structures with lower E(v) and E(m) than those of ground-state ZrO(2), we first reoptimize the crysta...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082769/ https://www.ncbi.nlm.nih.gov/pubmed/35539794 http://dx.doi.org/10.1039/c8ra02958j |