Density Function Theory (DFT) calculation was used to find out ground and excitation states for graphene ribbons, types of adsorption, energy gap, maximum wave length optical band gap. Adsorption showed that CO2 gas molecule had chemical adsorption in distance 1 1.5 Angstrom. appeared have physical 2 2.5 decreased when the between surface increased. Resulting from there a change Angstrom due at...

We proposed a scheme of armchair graphene nanoribbon (AGNR) based tunnel field-effect transistor (TFET). The simulated device consists two electrodes with zigzag termination that are separated by narrow gap. Fermi level is controlled common back gate. main idea on taking advantage the electronic effects smooth edge atoms and investigatinge effect applied small uniaxial tensile strain gate volta...

First-principles computational studies indicate that (B, N, or O)-doped graphene ribbon edges can substantially reduce the energy barrier for H2 dissociative adsorption. The low barrier is competitive with many widely used metal or metal oxide catalysts. This suggests that suitably functionalized graphene architectures are promising metal-free alternatives for low-cost catalytic processes.

Structural distortions in nano-materials can induce dramatic changes in their electronic properties. This situation is well manifested in graphene, a two-dimensional honeycomb structure of carbon atoms with only one atomic layer thickness. In particular, strained graphene can result in both charging effects and pseudo-magnetic fields, so that controlled strain on a perfect graphene lattice can ...

We propose a hybrid nano-structuring scheme for tailoring thermal and thermoelectric transport properties of graphene nanoribbons. Geometrical structuring and isotope cluster engineering are the elements that constitute the proposed scheme. Using first-principles based force constants and Hamiltonians, we show that the thermal conductance of graphene nanoribbons can be reduced by 98.8% at room ...

C 2012 American Chemical Society Graphene: The Game Changer? I t has only been eight years since the isolation of graphene 1 and over a year since the 2010 Nobel Prize in Physics was jointly awarded to Andre Geim and Konstantin Novoselov “for groundbreaking experiments regarding the two-dimensional material graphene.” Nevertheless, the number of graphene publications is still rapidly growing. T...

By merging bottom-up and top-down strategies we tailor graphene's electronic properties within nanometer accuracy, which opens up the possibility to design optical and plasmonic circuitries at will. In a first step, graphene electronic properties are macroscopically modified exploiting the periodic potential generated by the self assembly of metal cluster superlattices on a graphene/Ir(111) sur...

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...

Nano-impact chronoamperometric experiments are a powerful technique for simultaneously probing both the potential of zero charge (PZC) and the diffusion coefficient (D0) of graphene nanoplatelets (GNPs). The method provides an efficient general approach to material characterisation. Using nano-impact experiments, capacitative impacts can be seen for graphene nanoplatelets of 15 μm width and 6-8...