The presence of dipolar layers determines the functionality of most technologically relevant
interfaces. The present contribution reviews how periodic dipole assemblies modify the …

During the last decade, interest on the growth and self-assembly of organic molecular
species on solid surfaces spread over the scientific community, largely motivated by the …

Supramolecular chemistry on a surface has produced a large variety of atomically controlled
systems, but practical applications are seriously restricted by the use of weakly cohesive non …

Organic/metal interfaces control the performance of many optoelectronic organic devices,
including organic light-emitting diodes or field-effect transistors. Using scanning tunnelling …

Self‐assembly, the process by which objects initially distributed at random arrange into well‐
defined patterns exclusively due to their local mutual interactions without external …

Properties of organic/inorganic composites can be highly dependent on the interfacial
connections. In this work, molecular dynamics, using pair-potential–based force fields, was …

Surface coordination chemistry has been traditionally associated with analogies between
metal–ligand bonding in coordination compounds and chemisorptive interactions, the …

The electronic structure of an electron-acceptor molecule, tetracyanoethylene (TCNE), on
graphene was investigated using the first-principles method based on density functional …

The computational characterization of inorganic–organic hybrid interfaces is arguably one of
the technically most challenging applications of density functional theory. Due to the …

The non-covalent synthesis of coordination compounds and networks provides promising
avenues towardsmetal-containing supermolecules and nanostructured materials with …