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Moiré pattern interlayer potentials in van der Waals materials from random-phase approximation calculations
Nicolas Leconte, Jeil Jung, Sébastien Lebègue +1
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where lon…
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
Martin Amft, Sébastien Lebègue, Olle Eriksson +1
We performed a systematic density functional study of the adsorption of copper, silver, and gold adatoms on graphene, especially accounting for van der Waals interactions by the vd…
Simulation of hydrogenated graphene Field-Effect Transistors through a multiscale approach
Gianluca Fiori, S. Lebègue, A. Betti +4
In this work, we present a performance analysis of Field Effect Transistors based on recently fabricated 100% hydrogenated graphene (the so-called graphane) and theoretically predi…