Owing to their unique properties, hybrid organic–inorganic (HOI) materials with a variety of
spatial architectures have emerged as potential candidates for state-of-the-art applications …

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

We use different semiempirical dispersion correction schemes to assess the role of long-
range van der Waals interactions in the adsorption of the prototypical molecular switch …

Solar thermal fuels, which reversibly store solar energy in molecular bonds, are a tantalizing
prospect for clean, renewable, and transportable energy conversion/storage. However, large …

We employ normal-incidence x-ray standing wave and temperature programed desorption
spectroscopy to derive the adsorption geometry and energetics of the prototypical molecular …

Semilocal and hybrid density functional theory was used to study the charge transfer and the
energy-level alignment at a representative interface between an extended metal substrate …

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 …

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 …

Adsorption and self-assembly of large π-conjugated 3, 4, 9, 10-perylene tetracarboxylic
dianhydride (PTCDA) molecules on rutile TiO2 (110) surface have been investigated using a …

X-ray absorption spectroscopy (XAS) yields direct access to the electronic and geometric
structure of hybrid inorganic-organic interfaces formed upon adsorption of complex …