  The turn-over frequency of the catalytic oxidation of CO at RuO2(110) was
calculated as function of temperature and partial pressures using ab initio
statistical mechanics. The underlying energetics of the gas-phase molecules,
dissociation, adsorption, surface diffusion, surface chemical reactions, and
desorption were obtained by all-electron density-functional theory. The
resulting CO2 formation rate [in the full (T, p_CO, p_O2)-space], the movies
displaying the atomic motion and reactions over times scales from picoseconds
to seconds, and the statistical analyses provide insights into the concerted
actions ruling heterogeneous catalysis and open thermodynamic systems in
general.
