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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4995507/ https://www.ncbi.nlm.nih.gov/pubmed/27554285 http://dx.doi.org/10.1038/srep31345 |