Ultrafast two-dimensional infrared spectroscopy (2D IR) has been advanced in recent years
toward measuring signals from only a monolayer of sample molecules at solid–liquid and …

Molecular energy transfer processes at solid surfaces are profoundly important, influencing
trap**, desorption, diffusion, and reactivity; in short, all of the elementary steps needed for …

Although water is almost transparent to visible light, we demonstrate that the air–water
interface interacts strongly with visible light via what we hypothesize as the photomolecular …

The study of ultrafast photoinduced dynamics of adsorbates on metal surfaces requires
thorough investigation of laser-excited electrons and, in many cases, the highly excited …

Great success has been achieved in the modeling of gas-surface elementary processes by
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …

Recent advances in theoretical characterization of reaction dynamics on metal surfaces are
reviewed. It is shown that the widely available density functional theory of metals and their …

We study the strong coverage dependence of the femtosecond laser-induced desorption of
CO from Pd (111) using molecular dynamics simulations that consistently include the effect …

Conversion of energy at the gas–solid interface lies at the heart of many industrial
applications such as heterogeneous catalysis. Dissipation of parts of this energy into the …

We assess the accuracy of vibrational dam** rates of diatomic adsorbates on metal
surfaces as calculated within the local-density friction approximation (LDFA). An atoms-in …

Ab initio molecular dynamics with electronic friction (AIMDEF) is a valuable methodology to
study the interaction of atomic particles with metal surfaces. This method, in which the effect …