81 citations · 228 across the 3 of their papers we have counts for
3 papers
Adsorption of cobalt on graphene: Electron correlation effects from a quantum chemical perspective
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by…
Graphene adhesion on mica: Role of surface morphology
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
We investigate theoretically the adhesion and electronic properties of graphene on a muscovite mica surface using the density functional theory (DFT) with van der Waals (vdW) inter…
Adsorption of diatomic halogen molecules on graphene: A van der Waals density functional study
A. N. Rudenko, F. J. Keil, M. I. Katsnelson +1
The adsorption of fluorine, chlorine, bromine, and iodine diatomic molecules on graphene has been investigated using density functional theory with taking into account nonlocal cor…