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Unexpected change in the electronic properties of the Au-graphene interface caused by toluene

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon

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Abstract

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.

Publication metadata

Author(s): Pinto H, Jones R, Goss JP, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2010

Volume: 82

Issue: 12

Print publication date: 01/09/2010

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.82.125407

DOI: 10.1103/PhysRevB.82.125407

Notes: Article no. 125407 8 pages

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