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Stoichiometry deviation in amorphous zirconium dioxide
Amorphous zirconia (a-ZrO(2)) has been simulated using a synergistic combination of state-of-the-art methods: employing reverse Monte-Carlo, molecular dynamics and density functional theory together. This combination has enabled the complex chemistry of the amorphous system to be efficiently investi...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064365/ https://www.ncbi.nlm.nih.gov/pubmed/35516402 http://dx.doi.org/10.1039/c9ra01865d |