Graphene/Li-ion battery

被引：52

作者：

Kheirabadi, Narjes ^{[1
]}

Shafiekhani, Azizollah ^{[2
,3
]}

机构：

[1] IAU, No Tehran Branch, Dept Phys, Tehran 1667934783, Iran

[2] Alzahra Univ, Dept Phys, Tehran 1993893973, Iran

[3] Inst Res Fundamental Sci IPM, Sch Phys, Tehran, Iran

来源：

JOURNAL OF APPLIED PHYSICS | 2012年 / 112卷 / 12期

关键词：

LITHIUM STORAGE; LI IONS; GRAPHITE; CARBON; CAPACITY; MECHANISM; INSERTION; ANODES; STATES;

D O I：

10.1063/1.4771923

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Density function theory calculations were carried out to clarify storage states of Lithium (Li) ions in graphene clusters. The adsorption energy, spin polarization, charge distribution, electronic gap, surface curvature, and dipole momentum were calculated for each cluster. Li-ion adsorbed graphene, doped by one Li atom is spin polarized, so there would be different gaps for different spin polarization in electrons. Calculation results demonstrated that a smaller cluster between each two larger clusters is preferable, because it could improve graphene Li-ion batteries; consequently, the most proper graphene anode structure has been proposed. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4771923]

引用

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