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First-principles prediction of high oxygen-ion conductivity in trilanthanide gallates Ln(3)GaO(6)
We systematically investigated trilanthanide gallates (Ln(3)GaO(6)) with the space group Cmc2(1) as oxygen-ion conductors using first-principles calculations. Six Ln(3)GaO(6) (Ln = Nd, Gd, Tb, Ho, Dy, or Er) are both energetically and dynamically stable among 15 Ln(3)GaO(6) compounds, which is consi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Taylor & Francis
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6407603/ https://www.ncbi.nlm.nih.gov/pubmed/30863467 http://dx.doi.org/10.1080/14686996.2019.1578183 |