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Structural, Electronic, Mechanical, and Thermodynamic Properties of Na Deintercalation from Olivine NaMnPO(4): First-Principles Study

The impact of Na atom deintercalation on olivine NaMnPO(4) was investigated in a first-principle study for prospective use as cathode materials in Na-ion batteries. Within the generalized gradient approximation functional with Hubbard (U) correction, we used the plane-wave pseudopotential approach....

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Detalles Bibliográficos
Autores principales:	Dima, Ratshilumela S., Maleka, Prettier M., Maluta, Nnditshedzeni E., Maphanga, Rapela R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9369742/ https://www.ncbi.nlm.nih.gov/pubmed/35955216 http://dx.doi.org/10.3390/ma15155280

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