• 文献标题:   Graphene/Li-ion battery
  • 文献类型:   Article
  • 作  者:   KHEIRABADI N, SHAFIEKHANI A
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF APPLIED PHYSICS
  • ISSN:   0021-8979 EI 1089-7550
  • 通讯作者地址:   IAU
  • 被引频次:   26
  • DOI:   10.1063/1.4771923
  • 出版年:   2012

▎ 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]