Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study

Zhao W, Gebhardt J, Gotterbarm K, Höfert O, Gleichweit C, Papp C, Görling A, Steinrück HP (2013)

Publication Type: Journal article

Publication year: 2013


Original Authors: Zhao W., Gebhardt J., Gotterbarm K., Höfert O., Gleichweit C., Papp C., Görling A., Steinrück H.-P.

Publisher: Institute of Physics: Hybrid Open Access

Book Volume: 25

Article Number: 445002

Journal Issue: 44

DOI: 10.1088/0953-8984/25/44/445002


The intercalation of a graphene layer adsorbed on a metal surface by gold or other metals is a standard procedure. While it was previously shown that pristine, i.e., undoped, and nitrogen-doped graphene sheets can be decoupled from a nickel substrate by intercalation with gold atoms in order to produce quasi-free-standing graphene, we find the gold intercalation behavior for boron-doped graphene on a Ni(111) surface to be more complex: for low boron contents (2-5%) in the graphene lattice only partial gold intercalation occurs and for higher boron contents (up to 20%) no intercalation is observed. In order to understand this different behavior, a density functional theory investigation is carried out, comparing undoped as well as substitutional nitrogen- and boron-doped graphene on Ni(111). We identify the stronger binding of the boron atoms to the nickel substrate as the factor responsible for the different intercalation behavior in the case of boron doping. However, the calculations predict that this energetic effect prevents the intercalation process only for large boron concentrations and that it can be overcome for smaller boron coverages, in line with our x-ray photoelectron spectroscopy experiments. © 2013 IOP Publishing Ltd.

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Zhao, W., Gebhardt, J., Gotterbarm, K., Höfert, O., Gleichweit, C., Papp, C.,... Steinrück, H.-P. (2013). Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study. Journal of Physics: Condensed Matter, 25(44).


Zhao, Wei, et al. "Gold intercalation of boron-doped graphene on Ni(111): XPS and DFT study." Journal of Physics: Condensed Matter 25.44 (2013).

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