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First principles study of the graphene/Ru(0001) interface
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10.1063/1.3077295
/content/aip/journal/jcp/130/7/10.1063/1.3077295
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/7/10.1063/1.3077295
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The 3.0 nm superstructure of graphene/Ru(0001) with relative height of C atoms within the graphene lattice coded by color. (a) Side view of the optimized superstructure. (b) Top view of the superstructure (the top Ru layer in light gray and the subsurface Ru layer in dark gray).

Image of FIG. 2.
FIG. 2.

A perspective view of humps in the graphene layer on Ru(0001) (Ru not shown).

Image of FIG. 3.
FIG. 3.

Electron density difference between the graphene/Ru(0001) superstructure and the isolated graphene sheet and Ru (0001) surface. (a) Side view and (b) top view of the superstructure. Lines: black, graphene lattice; light gray (green), Ru lattice. Isosurfaces: gray (blue), accumulation; darkest gray (red), depletion. Isovalue: . Squares indicate zoomed-in regions.

Image of FIG. 4.
FIG. 4.

Local density of states for a C–Ru bond where the C atom is atop the Ru atom [see the bond indicated by the straight arrow in Fig. 3(b)].

Image of FIG. 5.
FIG. 5.

The 2.7 nm superstructure of graphene/Ru(0001) with relative height of C atoms within the graphene lattice coded by color. (a) Side view of the optimized superstructure. (b) Top view of the superstructure (the top Ru layer in light gray, and the subsurface Ru layer in dark gray).

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/content/aip/journal/jcp/130/7/10.1063/1.3077295
2009-02-18
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: First principles study of the graphene/Ru(0001) interface
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/7/10.1063/1.3077295
10.1063/1.3077295
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