First-principles study on small polaron and Li diffusion in layered LiCoO 2

Li-ion conductivity is one of the essential properties that influences the performance of cathode materials for Li-ion batteries. Here, using density functional theory, we investigate the polaron stability and its effect on the Li-ion diffusion in layered LiCoO 2 with various magnetic orderings. We...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2023-10, Vol.25 (40), p.27848-27853
Hauptverfasser:	Ahn, Seryung, Kim, Jiyeon, Kim, Bongjae, Kim, Sooran
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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