The absorption of photons by an adsorbate/substrate complex may induce a wide range of
physical and chemical processes, such as desorption, dissociation and reactions. Although …

Photochemical surface processes are initiated by the absorption of photons by an adsorbate
or the substrate, and followed by various energy transfer and relaxation processes that lead …

A multiconfiguration time‐dependent Hartree method is applied to study the
photodissociation dynamics of methyl iodide on a MgO surface. The surface is assumed to …

The adsorption of CO 2 gas on the MgO (100) crystal surface is investigated using grand
canonical Monte Carlo simulations. This allows us to obtain adsorption isotherms that can …

The standard picture of desorption induced by electronic transitions (DIET) is analyzed for
high excited state quenching rates. Simple dynamical considerations are found to explain …

We report a Monte Carlo simulation of the p (2× 1)→ p (1× 1) phase transition in a
monolayer of CO molecules adsorbed on a NaCl (001) surface. In the p (2× 1) phase the CO …

This work is a two-dimensional study of the photodissociation of a HCl molecule adsorbed
on a proton ordered hexagonal ice surface. We apply the multi-configuration time …

Photodissociation dynamics of HBr adsorbed on a LiF (001) surface are investigated using
both exact and time‐dependent Hartree (TDH) methods on realistic potential energy …

In response to recent helium atom scattering (HAS) results, Monte Carlo (MC) simulations
and perturbation theory have been performed for H2 on LiF (001). MC simulations predict …

Monte Carlo simulations of CO/MgO001 show that below 41 K the CO molecules form ac (4
2) structure with six molecules per unit cell distributed into two kinds of adsorption sites: a …