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Role of vacancies, light elements and rare-earth metals doping in CeO(2)
The magnetic properties and electronic structures of pure, doped and defective cerium oxide (CeO(2)) have been studied theoretically by means of ab initio calculations based on the density function theory (DFT) with the hybrid HF/DFT technique named PBE0. Carbon (C), nitrogen (N), phosphorus (P), su...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4995507/ https://ncbi.nlm.nih.gov/pubmed/27554285 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep31345 |
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