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Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
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Role of dispersion forces in the structure of graphene monolayers on Ru surfaces
Physical Review Letters
|June 4, 2011
Abstract:
Elaborate density functional theory (DFT) calculations that include the effect of van der Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru(0001). The calculations predict a reduction of structural corrugation in the observed moiré pattern of about 25% (∼0.4 Å) with respect to DFT calculations without vdW corrections. The simulated STM topographies are close to the experimental ones in a wide range of bias voltage around the Fermi level.
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