Noncovalent van der Waals (vdW) or dispersion forces are ubiquitous in nature and
influence the structure, stability, dynamics, and function of molecules and materials …

This work reviews the increasing evidence that many-body van der Waals (vdW) or
dispersion interactions play a crucial role in the structure, stability and function of a wide …

The electronic properties and the function of hybrid inorganic-organic systems (HIOS) are
intimately linked to their interface geometry. Here we show that the inclusion of the many …

The atomic layer of hybridized hexagonal boron nitride (h-BN) and graphene has attracted a
great deal of attention after the pioneering work of PM Ajayan et al. on Cu foils because of …

We explore the adsorption of MoS 2 on a range of metal substrates by means of first-
principles density functional theory calculations. Including van der Waals forces in the …

Graphene, a single atomic layer of graphite, has been the focus of recent intensive studies
due to its novel electronic and structural properties. Metals grown on graphene also have …

Single crystal surfaces with periodic overlayers, such as graphene on hexagonal metal
substrates, are found to exhibit, apart from their intrinsic periodicity, additional long-range …

Graphene is the strongest material ever studied and can be an efficient substitute for silicon.
This six-volume handbook focuses on fabrication methods, nanostructure and atomic …

Collective magnetic properties are usually associated with the d or f electrons that carry the
individual magnetic moments. A fully spin-polarized ground state based on π electrons has …

Interatomic pairwise methods are currently among the most popular and accurate ways to
include dispersion energy in density functional theory calculations. However, when applied …