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Metallic graphene nanoribbons (GNRs) represent a critical component in the toolbox of low-dimensional functional materials technolo-gy serving as 1D interconnects capable of both electronic and quantum information transport. The structural…
It is shown that for monolayer graphene electrons are confined on a perfect two dimensional surface. The implications for the electronic properties of corrugated graphene are discussed in view of a derivation of the constrained relativistic…
While graphene is a semi-metal, recently synthesized hydrogenated graphene called graphane, turns out to be an insulator. We have probed the metal insulator Transition in graphene-graphane system within the framework of density functional…
An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based optoelectronic…
This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…
The recent discovery of graphene has sparked significant interest, which has so far been focused on the peculiar electronic structure of this material, in which charge carriers mimic massless relativistic particle. However, the structure of…
Periodic structures with subwavelength features are instrumental in the versatile and effective control of electromagnetic waves from radio frequencies up to optics. In this paper, we theoretically evaluate the potential applications and…
Here we report a facile method to generate a high density of point defects in graphene on metal foil and show how the point defects affect the electronic structures of graphene layers. Our scanning tunneling microscopy (STM) measurements,…
The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers:…
We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…
Graphene is a nonmagnetic semimetal and cannot be directly used as electronic or spintronic devices. We demonstrate that graphene quantum dots (GQDs) can exhibit strong edge magnetism and tunable energy gaps due to the presence of localized…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…
In view of a formal topology, two common terms, namely, connectivity and adjacency, determine the quality of C-C bonds of sp2 nanocarbons. The feature is the most sensitive point of the inherent topology of the species so that such external…
The excellent mechanical properties make graphene promising for realizing nanomechanical resonators with high resonant frequencies, large quality factors, strong nonlinearities, and the capability to effectively interface with various…
We predict a transition to metallicity when a sufficient amount of disorder is induced in graphene. Calculations were performed by means of a first principles stochastic quench method. The resulting amorphous graphene can be seen as…
Recently graphene was introduced with tunable ripple texturing, a nanofabric enabled by graphene's remarkable elastic properties. However, one can further envision sandwiching the ripples, thus constructing composite nanomaterial, graphene…
The study of topological states in electronic structures, which allows robust transport properties against impurities and defects, has been recently extended to the realm of elasticity. This work shows that nontrivial topological flexural…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density functional theory. We calculate the edge formation free energy of five different edge configurations…
Graphene can support surface plasmons with higher confinement, lower propagation loss, and substantially more tunable response compared to usual metal-based plasmonic structures. Interestingly, plasmons in graphene can strongly couple with…