Adsorption geometry and stability of organic molecules on surfaces are key parameters that
determine the observable properties and functions of hybrid inorganic/organic systems …

Using light to control the switching of functional properties of surface-bound species is an
attractive strategy for the development of new technologies with possible applications in …

Elaborate density functional theory (DFT) calculations that include the effect of van der
Waals (vdW) interactions have been carried out for graphene epitaxially grown on Ru …

Azobenzene is a prototypical molecular switch that can be reversibly photoisomerized
between the nearly planar and apolar trans form, and the distorted, polar cis form. Most …

In this study, the adhesive interaction between gold and epoxy resin is theoretically
investigated. These materials make up crucial components of a wide range of electronic …

Molecular electronics offers a promising way for constructing nano-electronic devices in
future with faster performance and smaller dimensions. For this aim, electronic switches are …

Electronic self-decoupling of an organic chromophore from a metal substrate is achieved
using a naphtalenediimide cyclophane to spatially separate one chromophore unit of the …

We present a detailed comparison of the S0, S1 (n→ π*) and S2 (π→ π*) potential energy
surfaces (PESs) of the prototypical molecular switch azobenzene as obtained by Δ-self …

N-Heteropolycycles (NHPCs) represent a promising substance class for applications in
functional organic materials, since their electronic structure and the resulting individual …

Prototypical molecular switches such as azobenzenes exhibit two states, ie, trans and cis,
with different characteristic physical properties. In recent years various derivatives were …