A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in
condensed matter, materials physics, chemistry, and biology is reviewed. The insights that …

Increasingly high hopes are being placed on organic semiconductors for a variety of
applications. Progress along these lines, however, requires the design and growth of …

The adsorption of aromatic molecules on metal surfaces plays a key role in condensed
matter physics and functional materials. Depending on the strength of the interaction …

We present a comparative van der Waals density-functional (vdW-DF) study of graphene
adsorbed on (111) surfaces of Ni, Cu, Pd, Ag, Au, and Pt, using the second version of vdW …

The adsorption of benzene on metal surfaces is an important benchmark system for hybrid
inorganic/organic interfaces. The reliable determination of the interface geometry and …

Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on
extended metal surfaces has become possible in recent years thanks to exciting …

The accurate description of interface characteristics between organic molecules and metal
surfaces has long been debated in theoretical studies. A well-founded description of …

Large π-conjugated molecules, when in contact with a metal surface, usually retain a finite
electronic gap and, in this sense, stay semiconducting. In some cases, however, the metallic …

The geometry and structure of an interface ultimately determines the behavior of devices at
the nanoscale. We present a generic method to determine the possible lattice matches …

The adsorption of CO2 molecules on monolayer epitaxial graphene on a SiC (0001) surface
at 30 K was investigated by temperature-programmed desorption and X-ray photoelectron …