Phys. Rev. B 82, 125407 (2010) [8 pages]Unexpected change in the electronic properties of the Au-graphene interface caused by tolueneReceived 8 March 2010; revised 21 May 2010; published 3 September 2010 Density-functional theory is used to show that isolated Au atoms on graphene do not lead to substantial charge transfer or doping but this is altered if a second layer of graphene or toluene is present. Thus intercalating Au into a sandwich of graphene-toluene leads to n-type doping of graphene. The effect is attributed to a confinement of the 6s level of Au by toluene or the second graphene layer. It is also shown that K atoms dope graphene with the transfer of around one electron. The binding energies and electronic structure of Au, Cr, and Ti on graphene are also reported. © 2010 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.82.125407
DOI:
10.1103/PhysRevB.82.125407
PACS:
73.22.Pr, 68.43.Bc, 73.20.Hb, 73.22.-f
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