▎ 摘　　要

Density functional theory was used to obtain total potential energy curves. We performed static calculations for five distinct approaching orientations of the water molecule to the graphene layer. The calculated adsorption energies for those orientations are in the range (-0.0866, -0.1421) eV. Additionally, we made calculations using molecular dynamics with different initial orientations for the water molecule. The resulting mean dipolar moment of this molecule is nearly parallel to the graphene layer. The interaction energy values are consistent with more costly MP2 calculations and experimental results obtained by other groups.