“…2 On the other hand, it has been proposed that, considering its chemical a±nity against certain molecules, the incorporation of a particular heteroatom to the graphene lattice would make it a very speci¯c sensor for gases, for example, by testing the ohmic response of doped graphene as well as measuring the characteristic current-voltage curves of a FET with this material in the gate. 10,11 In the speci¯c case of an Al heteroatom, several theoretical works have been reported concerning to the adsorption of diatomic (CO, NO, O 2 , H 2 ), 12-15 triatomic (NO 2 , SO 2 , CO 2 , H 2 O) 13,14 and larger molecules (NH 3 , H 2 CO). 13,14,16 It should be underlined that in all the inherent calculations with Al and other heteroatoms, only the PBE functional for exchange and correlation was employed.…”