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We investigate the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…
In this work, we have systematically investigated the structural, electronic, vibrational and optical properties of the edge-functionalized hg-C3N4 quantum dots with the aim of exploring their possible applications in solar cells and other…
We present a tight-binding theory of triangular graphene quantum dots (TGQD) with zigzag edge and broken sublattice symmetry in external magnetic field. The lateral size quantization opens an energy gap and broken sublattice symmetry…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…
Serving as a new two-dimensional plasmonic material, graphene has stimulated an intensive study of its optical properties which benefit from the unique electronic band structure of the underlying honeycomb lattice of carbon atoms. In…
We suggest a way of confining quasiparticles by an external potential in a small region of a graphene strip. Transversal electron motion plays a crucial role in this confinement. Properties of thus obtained graphene quantum dots are…
Change of the bonding environment at the free edges of graphene monolayer leads to excess edge energy and edge force, depending on the edge morphology (zigzag or armchair). By using a reactive empirical bond-order potential and atomistic…
Quantum dots based on the graphene stripes show unconventional optical properties in the THz frequency range. The graphene quantum dot (GQD) is made of electrically gated stripe with zigzag edges. Inside the active region (AR), which is…
The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86…
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-junctions. Our analysis shows that functionalization can be…
We propose a mechanical granular graphene obtained by replacing the carbon atoms with macroscopic spherical stainless steel beads in contact. The experimental measured dispersion relation is presented, in conjunction with evidence of the…
We study topological bound states in quantum dots defined by an electric field in bilayer graphene. An external field is perpendicular to the bilayer and changes sign in a finite region that defines the quantum dot. The electric field opens…
In this comprehensive study, we undertake a thorough theoretical examination of the electronic subband structures within cove-edged zigzag graphene nanoribbons (CZGNRs) using the tight-binding model. These unique nanostructures arise from…
Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…
Graphene quantum dots (GQDs) are nanoscale structures of graphene with quantum properties and edge effects that give photoluminescence properties. The effect of quantum confinement and differences in the nature of GQD structure makes its…
We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure plane. Compared to…
This work investigates the electronic properties of the energy spectrum of a hybrid system composed of (i) a circular quantum dot of monolayer graphene surrounded by an infinite sheet of AA-stacked bilayer graphene and (ii) a circular…
Using density functional theory calculations, we have examined the structural stability, electronic, magnetic and optical properties of rectangular shaped quantum dots (QDs) of graphene (G), Boron Nitride (BN) and their hybrids. Different…
Linear conductance of junctions formed by graphene flakes with order of nanometer-thick electrodes attached at the corners of the flakes is studied. The explored structures have sizes up to 20000 atoms and the conductance is studied as a…