α-Graphyne with ultra-low diffusion barriers as a promising sodium-ion battery anode and a computational scheme for accurate estimation of theoretical specific capacity

Sodium-ion batteries are considered as potential alternatives to conventional lithium-ion batteries. To realize their large-scale practical applications, it is essential to identify suitable anode candidates exhibiting promising electrochemical properties such as high specific capacity, low diffusio...

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Veröffentlicht in:	Nanoscale 2024-09, Vol.16 (36), p.169-16912
Hauptverfasser:	Dandigunta, Babuji, V G, Abhijitha, Yamijala, Sharma S. R. K. C, Nanda, B. R. K
Format:	Artikel
Sprache:	eng
Schlagworte:	Alternative energy sources Cluster analysis Density functional theory Diffusion barriers Electrochemical analysis Lithium-ion batteries Metal clusters Molecular dynamics Sodium Sodium-ion batteries Stability Two dimensional materials Vertical loads
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