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In surface catalysis, the adsorption of carbon monoxide on transition-metal electrodes represents the prototype of strong chemisorption. Notwithstanding significant changes in the molecular orbitals of adsorbed CO, spectroscopic experiments…
Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response.…
We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional…
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…
We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of Au, Ag, Al, Mg and Ca surfaces upon adsorption of a monolayer…
Experiments of periodically sheared colloidal suspensions or soft amorphous solids display a transition from reversible to irreversible particle motion that, when analysed stroboscopically in time, is interpreted as an absorbing phase…
The adsorption of functional molecules on insulator surfaces is of great importance to molecular electronics. We present a systematical investigation of geometric and electronic properties of PTCDA and C60 on KBr(001) using DFT and…
We study the evolution of the quantum scattering time by gate voltage training in the topological insulator based on InAs/GaSb/InAs trilayer quantum wells. Depending on the minimal gate voltage applied during a gate voltage sweep cycle, the…
We propose an engineering of the optical properties of GaAs/AlGaAs quantum wells using AlAs and InAs monolayer insertions. A quantitative study of the effects of the monolayer position and the well thickness on the interband and…
We study the photoabsorption properties of photoactive bulk polymer/ fullerene/nanotube heterojunctions in the near-infrared region. By combining pump-probe spectroscopy and linear response time-dependent density functional theory within…
Intra and intersubband scattering rates and electron capture rates are considered when mediated by hybrid optical phonons in an AlAs/GaAs/AlAs double heterostructure confined between two outer metallic barriers. In evaluating scattering…
We report on the realization of a multi-orbital system with ultracold atoms in the excited bands of a 3D optical lattice by selectively controlling the band population along a given lattice direction. The lifetime of the atoms in the…
Single layer Pb on top of (111) surfaces of group IV semiconductors hosts charge density wave and superconductivity depending on the coverage and on the substrate. These systems are normally considered to be experimental realizations of…
Understanding the fundamental mechanisms ruling laser-induced coherent charge transfer in hybrid organic/inorganic interfaces is of paramount importance to exploit these systems in next-generation opto-electronic applications. In a…
We calculate the inelastic scattering rates and the hot electron inelastic mean free paths for both monolayer and bilayer graphene on a polar substrate. We study the quasiparticle self-energy by taking into account both electron-electron…
The properties of Shockley-type interface states between $\pi$-conjugated organic molecular layers and metal surfaces are investigated by time-resolved two-photon photoemission experiments and density functional theory. For perylene- and…
We study the significance and characteristics of interfacial dynamical charge transfer at metal-organic interfaces for the organic semiconductor model system 1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA) on Ag(111) quantitatively.…
Using ab initio methods, we examine the the charge distribution at the interface of alpha-alumina-supported Pt films, and we consider the influence of this interface on CO adsorption. We demonstrate that a combination of electrostatic…
First principles calculations of the damping rates (inverse inelastic lifetimes) of low energy quasiparticles in bulk Pb are presented. Damping rates are obtained both for excited electrons and holes with energies up to 8 eV on a set of k…
Time-domain analysis of harmonic fields with sub-cycle resolution is now experimentally viable due to the emergence of sensitive, on-chip techniques for petahertz-scale optical-field sampling. We demonstrate how such a time-domain,…