Abstract:
Using ab initio density functional theory, we have studied the electronic and magnetic properties of graphene and semi-hydrogenated graphene supported on oxygen adsorbed Ni(111)
surface. For the mono-layer coverage of oxygen atoms it is observed that the oxygen intercalation decouples graphene from Ni(111)-O substrate and the Dirac cone at K point shifted above the Fermi energy. Interaction of semi-hydrogenated graphene is stronger with Ni(111)-O as compared to clean Ni(111)-O surface. A ve-fold increase in magnetic moment of surface Ni atoms is observed. For the half mono-layer coverage of oxygen it is seen that induced magnetic moment on graphene increases signi cantly.
