Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful
probe of the one-electron removal spectral function in ordered solid state. With increasing …

Minimizing charge carrier injection barriers and extraction losses at interfaces between
organic semiconductors and metallic electrodes is critical for optimizing the performance of …

We present a method for obtaining outer-valence quasiparticle excitation energies from a
density-functional-theory-based calculation, with an accuracy that is comparable to that of …

Modern functional materials consist of large molecular building blocks with significant
chemical complexity which limits spectroscopic property prediction with accurate first …

Density functional theory with optimally tuned range-separated hybrid (OT-RSH) functionals
has been recently suggested [Refaely-Abramson et al. Phys. Rev. Lett. 2012, 109, 226405] …

Many-body perturbation theory in the G 0 W 0 approximation is an increasingly popular tool
for calculating electron removal energies and fundamental gaps for molecules and solids …

What do energy level alignments at metal–organic interfaces reveal about the metal–
molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators …

Beside the fact that they attract highest interest in the field of organic electronics,
heteromolecular structures adsorbed on metal surfaces, in particular donor–acceptor …

We revisit the question of kekulene's aromaticity by focusing on the electronic structure of its
frontier orbitals as determined by angle-resolved photoemission spectroscopy. To this end …

Recently, it has been shown that experimental data from angle-resolved photoemission
spectroscopy on oriented molecular films can be utilized to retrieve real-space images of …