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In this thesis, I propose a practical way to stabilize half passivatedgraphene (graphone). I show that the dipole moments induced by ahexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogenatoms on one sublattice of the graphene layer and suppress the migration of theadsorbed hydrogen atoms. I also present the substrate effect of h-BN thatreduces distortion induced by fluorination of graphene and stabilizeshalf-passivated graphene in a single sublattice. Then using spin-polarizeddensity functional calculations I investigate magnetic properties of graphone.I show the system has different magnetic order which can be described by eithersuper-exchange or double exchange mechanisms depending on the type the of addatom. The hybridization of graphene changes from $sp^2$- to $sp^3$- typehybridization due to the buckling induced by passivation. The change inhybridization together with add-atom orbitals induces a fairly large spin orbitcoupling (SOC). Based upon first principle spin-polarized density of statescalculations, I show that the graphone obtained in different graphene/h-BNheterostructures exhibits a half metallic state. I propose to use this exoticmaterial for spin valve systems and other spintronics devices.

Spintronics in half-passivated graphene