  Adsorption of $O_{2}$ molecule on Al surface has been a long standing puzzle
for the first principles calculation. We have studied the adsorption of $O_{2}$
molecule on the Al(111) surface using hybrid functionals. In contrast to the
previous LDA/GGA, the present calculations with hybrid functionals successfully
predict that $O_{2}$ molecule can be absorbed on the Al(111) surface with a
barrier around 0.2$\thicksim$0.4 eV, which is in good agreement with
experiments. Our calculations predict that the LUMO of $O_{2}$ molecule is
higher than the Fermi level of the Al(111) surface, which is responsible for
the barrier of the $O_{2}$ adsorption.
