We use ab initio density-functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We find that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by forming a wavy structure consisting of free-standing conductive ridges that are connected by ribbon-shaped regions of graphene, which bond covalently to the subs...

Submitted for the MAR11 Meeting of The American Physical Society Opening of slit-shaped pores from bending of graphene walls1 MATTHEW CONNOLLY, University of Missouri-Columbia, CARLOS WEXLER, University of Missouri Columbia — Graphene has gained particular interest in many areas of research including adsorption. Recent studies have shown deformations in graphene resulting from the pressure of i...

The Wigner distribution function formalism is applied to the description of transport properties of spintronic multilayer nanodevice. The central layer of the nanodevice is doped with magnetic impurities. The current-voltage characteristics and the spin polarisation of current are calculated.

In this paper, the in-plane torsional properties of two dimensional nanomaterials are revealed to be tunable by surface functionalization using molecular dynamics simulations. The torsional strengths of both graphene and graphyne under circular shearing are found to first decrease and then increase anomalously with the increase of the hydrogenation ratio. The minimum strength of such U-shaped s...

We synthesize hexagonal shaped single-crystal graphene, with edges parallel to the zig-zag orientations, by ambient pressure CVD on polycrystalline Cu foils. We measure the electronic properties of such grains as well as of individual graphene grain boundaries, formed when two grains merged during the growth. The grain boundaries are visualized using Raman mapping of the D band intensity, and w...

The morphologies/dimensions of Au nanostructures can be tailored by merely controlling the reduction degree of graphene oxide surface. Au nanoparticles, long Au nanowires, and semicircular-shaped Au nanoplates are in situ synthesized on slightly, moderately, and highly reduced graphene oxide films respectively, without the need of any templating agent.

Three-dimensional graphene-based structures such as graphene aerogels or foams have shown applications in energy, environmental matters, and many other areas. Here, we present a method to convert raw cotton into functional aerogels containing a significant amount of nitrogen-doped graphene (N-graphene) sheets grafted on carbonized cellulose fibers. Urea was introduced into raw cotton as a molec...

Wrinkles in graphene with desirable morphology have practical significance for electronic applications. Here we carry out a systematic molecular dynamics study of the wrinkling instability of graphene on substrate-supported nanoparticles (NPs). At a large NP dispersion distance, a monolayer graphene adheres to the substrate and bulges out locally to wrap around individual NPs, forming isolated ...

To clarify the yielding mechanism of small hydrocarbon molecules in chemical sputtering between hydrogen and graphene sheets, we made classical molecular dynamics simulation with modified Brenner’s REBO potential which we proposed to deal with chemical reaction. As the simulation model, we prepared more realistic physical system, which is composed of 160 incident hydrogen atoms and ten graphene...

A fibre-shaped solid electrochemical capacitor based on electrochemically reduced graphene oxide has been fabricated, exhibiting high specific capacitance and rate capability, long cycling life and attractive flexibility.