We have therefore deepened our study on the effect of pressure on the Graphene functionalization, by assessing the thermodynamic stability of BLG functionalized with -OCH 3 and -H groups under different pressures. In this regard we have built models of functionalized BLG/methanol interfaces with -OCH 3 and -H groups bonded to the same BLG layer. Such functionalization is the product of a methanol deprotonation followed by formation of C-O and C-H bonds with the BLG layer. Models characterized by -OCH 3 and -H groups in the ortho, meta and para configurations have been simulated by DFT-MD at 0.0001, 6.8 and 10 GPa. For the first 2-3 ps of equilibration the C-O and C-H interatomic distances between the functional groups (-H and -OCH 3 ) and the BLG layer were restrained by applying semi-parabolic potentials V wall (with constant k=15000 kJ/mol*nm). This was done in order to equilibrate the functional groups first solvation shell and avoid unwanted spurious effect (e.g. bond cleavage) due to the possible high energy of the system's initial configuration.