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Graphene/Li-ion battery

Research output: Contribution to journalJournal article

Article number124323
<mark>Journal publication date</mark>15/12/2012
<mark>Journal</mark>Journal of Applied Physics
Issue number12
Number of pages5
Publication statusPublished
Original languageEnglish


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 grapheneLi-ion batteries; consequently, the most proper graphene anode structure has been proposed.

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© 2012 AIP Publishing LLC