Issue 24, 2008
From the journal:

Physical Chemistry Chemical Physics

Chemical origin of a graphene moiré overlayer on Ru(0001)

B. Wang,a   M.-L. Bocquet,*ab   S. Marchini,b   S. Güntherb  and  J. Wintterlinbc  

* Corresponding authors

a Université de Lyon, Laboratoire de Chimie, Ecole Normale Supérieure de Lyon, CNRS, Lyon, France
E-mail: mbocquet@ens-lyon.fr

b Ludwig-Maximilians-Universität München, Department Chemie und Biochemie, Germany

c Center for Nanoscience CeNS, Butenandtstr. 5-13, München, Germany

Abstract

Epitaxial graphene on Ru(0001) was studied by means of large-scale density functional theory (DFT) calculations. The results agree well with scanning tunneling microscopy experiments. In contrast to the current understanding, we show that the measured corrugation originates mainly from a geometric buckling of the graphene sheet, induced by alternating weak and strong chemical interactions with the Ru support. In the strong contact regions, charge transfer is evidenced and the opening of a considerable band gap in the graphene is found.

Graphical abstract: Chemical origin of a graphene moiré overlayer on Ru(0001)

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Article information

DOI
https://doi.org/10.1039/B801785A
Article type
Paper
Submitted
31 Jan 2008
Accepted
19 Mar 2008
First published
16 Apr 2008

Phys. Chem. Chem. Phys., 2008,10, 3530-3534

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Chemical origin of a graphene moiré overlayer on Ru(0001)

B. Wang, M.-L. Bocquet, S. Marchini, S. Günther and J. Wintterlin, Phys. Chem. Chem. Phys., 2008, 10, 3530 DOI: 10.1039/B801785A

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