Twin-graphene as a Promising Anode Material for Na-Ion Rechargeable Batteries

被引：56
|
作者：
Dua, Harkishan [1 ]
Deb, Jyotirmoy [1 ]
Paul, Debolina [1 ]
Sarkar, Utpal [1 ]
机构：
[1] Assam Univ, Dept Phys, Silchar 788011, India
来源：
ACS APPLIED NANO MATERIALS | 2021年 / 4卷 / 05期
关键词：
density functional theory; twin-graphene; Na-ion battery; adsorption of Na; theoretical capacity; open-circuit voltage; diffusion of Na; ELASTIC BAND METHOD; SODIUM-ION; HIGH-CAPACITY; PENTA-GRAPHENE; 1ST PRINCIPLE; LITHIUM; DIFFUSION; GRAPHYNE; PERFORMANCE; STORAGE;
D O I：
10.1021/acsanm.1c00460
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
In this work, using density functional theory, a twin-graphene-based anode material is investigated for the use in rechargeable ion batteries with sodium as the intercalating ion. The pristine twin-graphene structure yielded two best adsorption sites of its surface where the Na atoms are adsorbed in a layer-wise fashion. We report a theoretical capacitance of 496.2 mAh/g for Na-adsorbed twin-graphene, which is significantly higher than those of many other carbon allotropies. From NEB calculations, a low diffusion barrier in twin-graphene suggests good diffusivity, and with a moderate value of open-circuit voltage, twin-graphene is a good choice for applications as an anode material in Na-ion rechargeable batteries.
引用
收藏
页码：4912 / 4918
页数：7
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