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Paper   IPM / P / 12668
School of Physics
  Title:   Graphene/Li-ion battery
1.  N. Kheirabadi
2.  A. Shafiekhani
  Status:   Published
  Journal: J. Appl. Phys.
  Vol.:  112
  Year:  2012
  Pages:   124323
  Supported by:  IPM
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.

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