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

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Details zur Publikation

Autor(en): Zhao W, Gebhardt J, Gotterbarm K, Höfert O, Gleichweit C, Papp C, Görling A, Steinrück HP
Zeitschrift: Journal of Physics: Condensed Matter
Verlag: Institute of Physics: Hybrid Open Access
Jahr der Veröffentlichung: 2013
Band: 25
Heftnummer: 44
ISSN: 0953-8984
eISSN: 1361-648X


Abstract


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.



FAU-Autoren / FAU-Herausgeber

Gebhardt, Julian
Lehrstuhl für Theoretische Chemie
Gleichweit, Christoph
Sonderforschungsbereich 953/2 Synthetische Kohlenstoffallotrope
Görling, Andreas Prof. Dr.
Lehrstuhl für Theoretische Chemie
Gotterbarm, Karin
Lehrstuhl für Physikalische Chemie II
Höfert, Oliver
Lehrstuhl für Physikalische Chemie II
Papp, Christian PD Dr.
Lehrstuhl für Physikalische Chemie II
Steinrück, Hans-Peter Prof. Dr.
Lehrstuhl für Physikalische Chemie II
Zhao, Wei
Lehrstuhl für Physikalische Chemie II


Zusätzliche Organisationseinheit(en)
Exzellenz-Cluster Engineering of Advanced Materials


Zitierweisen

APA:
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). https://dx.doi.org/10.1088/0953-8984/25/44/445002

MLA:
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).

BibTeX: 

Zuletzt aktualisiert 2019-07-04 um 14:51