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Oxygen conduction mechanism in Ca(3)Fe(2)Ge(3)O(12) garnet-type oxide
We investigate the oxygen conduction mechanism in a garnet-type oxide, Ca(3)Fe(2)Ge(3)O(12), for the first time in detail by first-principle calculations. The nudged elastic band results confirm that this oxide has a lower migration barrier energy (0.45 eV) for an oxygen interstitial (O(i)) with the...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6384878/ https://ncbi.nlm.nih.gov/pubmed/30796279 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-39288-x |
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