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...

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Detalles Bibliográficos
Autores principales: Kuganathan, Navaratnarajah, Chroneos, Alexander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6515689/
https://www.ncbi.nlm.nih.gov/pubmed/31027175
http://dx.doi.org/10.3390/ma12081348

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6515689/
https://www.ncbi.nlm.nih.gov/pubmed/31027175
http://dx.doi.org/10.3390/ma12081348

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