  The dehydrogenation reaction of methanol on metal supported MgO(100) films
has been studied by employing periodic density functional calculations. As far
as we know, the dehydrogenation of single methanol molecule over inert oxide
insulators such as MgO has never been realized before without the introduction
of defects and low coordinated atoms. By depositing the very thin oxide films
on Mo substrate we have successfully obtained the dissociative state of
methanol. The dehydrogenation reaction is energetically exothermic and nearly
barrierless. The metal supported thin oxide films studied here provide a
versatile approach to enhance the activity and properties of oxides.
