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Defect Chemistry and Na-Ion Diffusion in Na(3)Fe(2)(PO(4))(3) Cathode Material
In this work, we employ computational modeling techniques to study the defect chemistry, Na ion diffusion paths, and dopant properties in sodium iron phosphate [Na(3)Fe(2)(PO(4))(3)] cathode material. The lowest intrinsic defect energy process (0.45 eV/defect) is calculated to be the Na Frenkel, whi...
Gardado en:
| Publicado en: | Materials (Basel) |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI
2019
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6515689/ https://ncbi.nlm.nih.gov/pubmed/31027175 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma12081348 |
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