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First-Principles Study on the Effect of Lithiation in Spinel Li(x)Mn(2)O(4) (0 ≤ x ≤ 1) Structure: Calibration of CASTEP and ONETEP Simulation Codes

Lithium–manganese–oxide (Li-Mn-O) spinel is among the promising and economically viable, high-energy density cathode materials for enhancing the performance of lithium-ion batteries. However, its commercialization is hindered by its poor cyclic performance. In computational modelling, pivotal in-dep...

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Detalles Bibliográficos
Autores principales:	Hlungwani, Donald, Ledwaba, Raesibe Sylvia, Ngoepe, Phuti Esrom
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9414491/ https://www.ncbi.nlm.nih.gov/pubmed/36013814 http://dx.doi.org/10.3390/ma15165678

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