Interaction between graphene and nickel(1Â 1Â 1) surfaces with commensurate and incommensurate orientational relationships

► Interaction between graphene and nickel surface with various orientations is examined. ► The Rosei and other hollow structures give rise to global and local energy minima. ► Interaction energy is almost constant for incommensurate structures. ► A few degrees rotation from Rosei structure diminishes energy barrier for translation.