Graphene is a unique 2D system of confined electrons with an unusual electronic structure of two inverted Dirac cones touching at a single point, with high electron mobility and promising microelectronics applications. The clean system has been studied extensively, but metal adsorption studies in controlled experiments have been limited; such experiments are important to grow uniform metallic films, metal contacts, carrier doping, etc. Two non-free-electron-like metals (rare earth Gd and transition metal Fe) were grown epitaxially on graphene as a function of temperature T and coverage θ. By measuring the nucleated island density and its variation with growth conditions, information about the metal-graphene interaction (terrace diffusion, detachment energy) is extracted. The nucleated island densities at room temperature (RT) are stable and do not coarsen, at least up to 400 °C, which shows an unusually strong metal-graphene bond; most likely it is a result of C atom rebonding from the pure graphene sp(2) C-C configuration to one of lower energy.
[Show abstract][Hide abstract] ABSTRACT: Motivated by the state of the art method for fabricating high-density periodic nanoscale defects in graphene, the structural, mechanical, and electronic properties of defect-patterned graphene nanomeshes including diverse morphologies of adatoms and holes are investigated by means of first-principles calculations within density functional theory. It is found that various patterns of adatom groups yield metallic or semimetallic, even semiconducting, behavior and specific patterns can be in a magnetic state. Even though the patterns of single adatoms dramatically alter the electronic structure of graphene, adatom groups of specific symmetry can maintain the Dirac fermion behavior. Nanoholes forming nanomesh are also investigated. Depending on the interplay between the repeat periodicity and the geometry of the hole, the nanomesh can be in different states ranging from metallic to semiconducting including semimetallic states with the bands crossing linearly at the Fermi level. We showed that forming periodically repeating superstructures in a graphene matrix can develop a promising technique for engineering nanomaterials with desired electronic and magnetic properties.
Physical Review B 01/2011; 84:035452. DOI:10.1103/PhysRevB.84.035452 · 3.74 Impact Factor
[Show abstract][Hide abstract] ABSTRACT: Graphene is an exciting material with numerous potential applications. To understand metal graphene interaction two different metals were studied. Two large Pb islands nucleate at 78K indicating fast diffusion and weak interaction(right). On the contrary, for Dysprosium a high island density is observed confirming slow diffusion and strong interaction(left).
[Show abstract][Hide abstract] ABSTRACT: Adsorption of the alkali-, group-III, and 3d-transition-metal adatoms (Na, K, Al, In, V, Fe, Co, and Ni) on graphene was studied systematically by first-principles calculations. The bonding character and electron transfer between the metal adatoms and graphene were analyzed using the recently developed quasi-atomic minimal basis set orbitals (QUAMBOs) approach. The calculations showed that the interaction between alkali-metal adatoms and graphene is ionic and has minimal effects on the lattice and electronic states of the graphene layer, in agreement with previous calculations. For group-III metal adatom adsorptions, mixed covalent and ionic bonding is demonstrated. In comparison, 3d-transition-metal adsorption on graphene exhibits strong covalent bonding with graphene. The majority of the contributions to the covalent bonds are from strong hybridization between the dx2-y2 and dyz orbitals of the 3d-transition-metal adatoms and pz orbitals of the carbon atoms. The strong covalent bonds cause large in-plane lattice distortions in the graphene layer. Charge redistributions upon adsorptions also induce significant electric dipole moments and affect the magnetic moments.
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