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Metal–metal interactions through graphene can result in interesting phenomena, although the effective range has not yet been studied in detail. This work investigated these interactions by evaluating the contact angles of Cu particles on graphene grown on a Pd substrate. Thermally-induced variations in the morphology of the particles were assessed using in situ scanning electron microscopy, and such changes were also evaluated by conducting molecular dynamics calculations. The contact angle exhibited a marked decrease in going from graphene multi-layers to a mono-layer. The simulations showed the particles on a graphene mono-layer will interact both with the graphene and the substrate. [ABSTRACT FROM AUTHOR]

We theoretically and computationally examined carrier localization in semiconducting edge-disordered graphene nanoribbons (ED-GNRs) with sub-100nm lengths that correspond to the typical gate length for field-effect transistors. We numerically found that the localization length of ED-GNRs is proportional to the square of ribbon width and inversely proportional to the edge-disorder concentration. Furthermore, we obtained an analytical formula of the localization length in terms of the GNR width and the roughness concentration. [ABSTRACT FROM AUTHOR]

Effects of edge disorder on thermoelectric performance of graphene nanoribbons (GNRs) were investigated through computational simulations based on the non-equilibrium Green's function method combined with the tight-binding method. We found that the thermoelectric power factor PF can be optimized by adjusting the length, Lg, of GNRs with edge disorder concentration Cd. For example, PF of zigzag-edged GNRs with a Cd of 10 % at room temperature and at the Fermi energy shows a maximum value of 33 mW/(m K2) at Lg = 210 nm. Both the maximum PF and optimum Lg decrease with increasing Cd. The maximum PF is theoretically explained in terms of the crossover from the ballistic transport regime to the Anderson's localization regime. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

We theoretically study electric transport in edge-disordered armchair graphene nanoribbons (ED-AGNRs) using an extended Hückel model combined with the non-equilibrium Green's function formulation. We find that ED-AGNRs exhibit the Anderson localization even at the Fermi energy (i.e., charge neutral point) originating from broken chiral symmetry of the system. Moreover, the localization length increases with temperature at low-density edge disorder, whereas it is almost independent of temperature at high-density one. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

We have theoretically investigated electronic, magnetic, and thermal properties of a graphene-diamond hybrid structure consisting of a graphene nanoribbon with zigzag edges connected to diamond surfaces. From the first-principles calculation, we found that the hybrid structure is stable and that the ferro-magnetically ordered edge state appears around the graphene-diamond. On the other hand, from the non-equilibrium molecular dynamics simulations, we found that the thermal conductance at the interface between the graphene and diamond is 7.01 ± 0.05 GWm-2K-1 at the room temperature, which is much larger than that for covalently bonded interface between carbon nanotube and silicon. Thus, we propose that the hybrid structure is a potential candidate for spin-polarized conducting wires with thermally efficient heat sinks. [ABSTRACT FROM AUTHOR]