  Atomic oxygen adsorption on the Mo(112) surface has been investigated by
means of first-principles total energy calculations. Among the variety of
possible adsorption sites it was found that the bridge sites between two Mo
atoms of the topmost row are favored for O adsorption at low and medium
coverages. At about one monolayer coverage oxygen atoms prefer to adsorb in a
quasi-threefold hollow sites coordinated by two first-layer Mo atoms and one
second layer atom. The stability of a structural model for an oxygen-induced
$p(2\times 3)$ reconstruction of the missing-row type is examined.
