No Arabic abstract
Based on first-principles calculations we predict that periodically repeated junctions of armchair graphene nanoribbons of different widths form superlattice structures. In these superlattice heterostructures the width and the energy gap are modulated in real space and specific states are confined in certain segments. Orientation of constituent nanoribbons, their width and length, the symmetry of the junction are the structural parameters to engineer electronic properties of these quantum structures. Not only the size modulation, but also composition modulation, such as periodically repeated, commensurate heterojunctions of BN and graphene honeycomb nanoribbons result in a multiple quantum well structure. We showed that these graphene based quantum structures can introduce novel concepts to design nanodevices.
In this work we study thermoelectric properties of graphene nanoribbons with side-attached organic molecules. By adopting a single-band tight binding Hamiltonian and the Greens function formalism, we calculated the transmission and Seebeck coefficients for different hybrid systems. The corresponding thermopower profiles exhibit a series of sharp peaks at the eigenenergies of the isolated molecule. We study the effects of the temperature on the thermoelectric response, and we consider random configurations of molecule distributions, in different disorder regimes. The main characteristics of the thermopower are not destroyed under temperature and disorder, indicating the robustness of the system as a proposed molecular thermo-sensor device.
Interactions between localized plasmons in proximal nanostructures is a well-studied phenomenon. Here we explore plasmon plasmon interactions in connected extended systems. Such systems can now be easily produced using graphene. Specifically we employ the finite element method to study such interactions in graphene nanoribbon arrays with a periodically modulated electrochemical potential or number of layers. We find a rich variation in the resulting plasmonic resonances depending on the dimensions and the electrochemical potentials (doping) of the nanoribbon segments and the involvement of transverse and longitudinal plasmon interactions. Unlike predictions based of the well-known orbital hybridization model, the energies of the resulting hybrid plasmonic resonances of the extended system can lie between the energies of the plasmons of the individual components. The results demonstrate the wide range tunability of the graphene plasmons and can help to design structures with desired spectra, which can be used to enhance optical fields in the infrared region of the electromagnetic spectrum.
The main challenge to exploiting plasmons for gas vibrational mode sensing is the extremely weak infrared absorption of gas species. In this work, we explore the possibility of trapping free gas molecules via surface adsorption, optical, or electrostatic fields to enhance gas-plasmon interactions and to increase plasmon sensing ability. We discuss the relative strengths of these trapping forces and found gas adsorption in a typical nanoribbon array plasmonic setup produces measurable dips in optical extinction of magnitude 0.1 % for gas concentration of about parts per thousand level.
Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-N-AGNRs by substitution resemble those of defect-free (N-1)-AGNR at the {Gamma} point, whereas those at the X point show the original ones of the defect-free N-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.
We consider the gapped graphene superlattice (SL) constructed in accordance with the Fibonacci rule. Quasi-periodic modulation is due to the difference in the values of the energy gap in different SL elements. It is shown that the effective splitting of the allowed bands and thereby forming a series of gaps is realized under the normal incidence of electrons on the SL as well as under oblique incidence. Energy spectra reveal periodical character on the whole energy scale. The splitting of allowed bands is subjected to the inflation Fibonacci rule. The gap associated with the new Dirac point is formed in every Fibonacci generation. The location of this gap is robust against the change in the SL period but at the same time it is sensitive to the ratio of barrier and well widths; also it is weakly dependent on values of the mass term in the Hamiltonian.