First-principles computational studies on Na+ diffusion in Li-doped P3-type NaMnO2 as cathode material for Na-ion batteries

Na-ion diffusion kinetics is a key factor that decided the charge/discharge rate of the electrode materials in Na-ion batteries. In this work, two extreme concentrations of NaMnO 2 and Na 2/3 Li 1/6 Mn 5/6 O 2 are considered, namely, the vacancy migration of Na ions in the fully intercalated and the...

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Veröffentlicht in:	Journal of Central South University 2022-09, Vol.29 (9), p.2930-2939
Hauptverfasser:	Zhang, Yu, Li, Jie, Zhang, Hong-liang, Du, Ke, Zhou, Xiang-yuan, Wang, Jing-kun
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding strength Diffusion rate Electrode materials Engineering First principles Inhomogeneity Interlayers Ion diffusion Jahn-Teller effect Lithium Metallic Materials Rechargeable batteries Sodium Sodium diffusion Sodium-ion batteries
Online-Zugang:	Volltext
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