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Structure and reducibility of yttrium-doped cerium dioxide nanoparticles and (111) surface
Using periodic density functional calculations, we studied the local structure and preferred locations of yttrium cations and oxygen vacancies in Y-doped cerium dioxide. We employed three kinds of models – a slab of the CeO(2)(111) surface and two ceria nanoparticles of different sizes and shapes. I...
| 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/PMC9467279/ https://www.ncbi.nlm.nih.gov/pubmed/36188438 http://dx.doi.org/10.1039/c8ra07014h |