Abstract

The adsorption of alkali metals (AMs) on single layer graphene is studied using first principles methods. We observe a common trend in the binding distance, the charge transfer, and the work function $(W)$ at certain coverage of AMs with increase in the proportion $\ensuremath{\rho}$ (adatom/C atom) of the graphene covered by the AM. A dip in these properties occurs at $\ensuremath{\rho}\ensuremath{\approx}0.04$ for all AMs except Li, for which it occurs at $\ensuremath{\rho}\ensuremath{\approx}0.08$. This behavior is due to a transition of adsorbed metals from individual atoms to two-dimensional metallic sheets that exert a depolarization effect. $W$ of graphene exhibits asymmetric dependence on $\ensuremath{\rho}$: a dip in the adatom layer side but saturation on the graphene side, which is in contrast to the case of bulk graphite.

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