Lookup NU author(s): Dr Jon Goss,
Professor Patrick Briddon
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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.
Author(s): Pinto H, Jones R, Goss JP, Briddon PR
Publication type: Article
Publication status: Published
Journal: Physical Review B
Print publication date: 01/09/2010
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
Notes: Article no. 125407
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