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Defect Chemistry, Sodium Diffusion and Doping Behaviour in NaFeO(2) Polymorphs as Cathode Materials for Na-Ion Batteries: A Computational Study
Minor metal-free sodium iron dioxide, NaFeO(2), is a promising cathode material in sodium-ion batteries. Computational simulations based on the classical potentials were used to study the defects, sodium diffusion paths and cation doping behaviour in the α- and β-NaFeO(2) polymorphs. The present sim...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6803870/ https://www.ncbi.nlm.nih.gov/pubmed/31590230 http://dx.doi.org/10.3390/ma12193243 |