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

A high‐mobility organic semiconductor employed as the active material in a field‐effect
transistor does not guarantee per se that expectations of high performance are fulfilled. This …

The operational principle of semiconductor devices critically relies on the band structures
that ultimately govern their charge‐transfer characteristics. Indeed, the precise orchestration …

With the rapid progress of perovskite solar cells (PSCs), both high efficiency and sufficient
stability are required simultaneously for their real-life application, wherein interfaces play an …

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 …

Molecular electrical doping of organic semiconductors has emerged as a valuable strategy
to improve the performance of organic (opto-) electronic devices and to extend the range of …

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

A thorough understanding of the adsorption of molecules on metallic surfaces is a crucial
prerequisite for the development and improvement of functionalized materials. A prominent …

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 …

We investigate conductivity and mobility of different hosts mixed with different electron-
withdrawing guests in concentrations ranging from ultralow to high. The effect of the guest …