• Title/Summary/Keyword: Density-functional theory

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Lithium atoms adsorbed on graphene

  • Kim, ChanRan
    • Proceeding of EDISON Challenge
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    • 2013.04a
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    • pp.278-281
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    • 2013
  • We investigate special arrangements of lithium atoms adsorbed on graphene. By changing adsorption sites and increasing number of atoms, adsorption of lithium atoms on ($3{\times}3$) graphene is investigated using the density functional theory (DFT) calculations. In this study, three kinds of adsorption sites are considered, such as top, bridge and hollow sites.

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