Magnetic Centres in Functionalized Graphene

Room-temperature Magnetic Ordering in Functionalized Graphene

Despite theoretical predictions, the question of room-temperature magnetic order in graphene must be conclusively resolved before graphene can fully achieve its potential as a spintronic medium. Through scanning tunneling microscopy (STM) and point I-V measurements, the current study reveals that unlike pristine samples, graphene nanostructures, when functionalized with aryl radicals, can susta...

Thermal transport in functionalized graphene.

We investigate the effects of two-dimensional (2D) periodic patterns of functional groups on the thermal transport in a graphene monolayer by employing molecular and lattice dynamics simulations. Our calculations show that the use of patterned 2D shapes on graphene reduces the room temperature thermal conductivity, by as much as 40 times lower than that of the pristine monolayer, due to a combi...

Functionalized Graphene Nanocomposites

Application of Functionalized Graphene Oxide Nanosheet in Gas Separation

   Graphene oxide nanosheet (GONS) can be a suitable membrane for gas separation with high permeability and selectivity. Separation of N2/CO2 using functionalized GONS was investigated by molecular dynamics simulations. The simulated systems were comprised of two types of GONS with a pore in their center, N2 and CO2 molecules. The selectivity and ...

Spectroscopy of covalently functionalized graphene.

In order to engineer a band gap into graphene, covalent bond-forming reactions can be used to change the hybridization of the graphitic atoms from sp(2) to sp(3), thereby modifying the conjugation length of the delocalized carbon lattice; similar side-wall chemistry has been shown to introduce a band gap into metallic single-walled carbon nanotubes. Here we demonstrate that the application of s...