Graphene/Li-Ion battery

Abstract

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.

19 pages, 7 figures, 1 table

References in corpus (6)

• Electric Field Effect in Atomically Thin Carbon Films
• The structure of suspended graphene sheets
• Suspended Graphene: a bridge to the Dirac point
• Modeling vacancies and hydrogen impurities in graphene: A molecular point of view
• Magnetism and structure at a vacancy in graphene
• The Ground State of Graphene and Graphene Disordered by Vacancies

Cited by in corpus (2)

• Lithium doped graphene as spintronic devices
• Interaction of hydrogen-edged boron nitride flakes with lithium: boron nitride as a protecting layer for a lithium-ion battery and a spin-dependent photon emission device