Related papers: Nonlinear polarization effect of functionalized gr…
Graphene monolayer is a material with zero band gap, because of which its applications in optoelectronics are limited. The question arises, can we modify the optoelectronic properties of graphene by doping it with other atoms? Synthesis of…
The goal of the present study is to explore how the size and functionalization of graphene quantum dots (GQDs) affect their sensing capabilities. Specifically, we investigated the adsorption of SO$_2$, SOF$_2$, SO$_2$F$_2$, and SF$_6$ on…
Zero-dimensional graphene quantum dots (GQD) dispersed in conducting polymer matrix display a striking range of optical, mechanical, and thermoelectric properties which can be utilized to design next-generation sensors and low-cost…
Graphene quantum dots (GQD) are interesting materials due to the confined sizes which allow to exploit their optoelectronic properties, especially when they interface with organic molecules through physisorption. In particular, when…
We theoretically analyze the scattering process of an electron on a graphene quantum dot (GQD) exposed to an external light irradiation. We prove that for suitable choices of the light polarization state, there emerge scattering resonances,…
On the basis of first-principles calculations and the special displacement method, we demonstrate the quantum confinement scaling law of the phonon-induced gap renormalization of graphene quantum dots (GQDs). We employ zigzag-edged GQDs…
Spin-polarized first-principles calculations have been performed to tune the electronic and optical properties of graphene (G) and boron-nitride (BN) quantum dots (QDs) through molecular charge-transfer using Tetracyanoquinodimethane (TCNQ)…
We have studied the electronic and optical properties of three low-symmetry graphene quantum dots (GQDs), with the point-group symmetries $C_{2v}$, and $C_{2h}$. For the calculations of linear optical absorption spectra, we employed both…
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…
The electronic energy gap and total dipole moment of chemically functionalized hexagonal and triangular graphene quantum dots are investigated by the density functional theory. It has been found that the energy gap can be efficiently tuned…
We determine the optical properties of gated bilayer graphene quantum dots with trigonal warping (TW) of single-particle energy spectra. The lateral structure of metallic gates confines electrons and holes in a quantum dot (QD)…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with…
The optical excitations of elongated graphene nanoflakes of finite length are investigated theoretically through quantum chemistry semi-empirical approaches. The spectra and the resulting dipole fields are analyzed, accounting in full…
The ability of graphene to support long-lived, electrically tunable plasmons that interact strongly with light, combined with its highly nonlinear optical response, has generated great expectations for application of the atomically-thin…
Finding out how symmetry encodes optical polarization information into the selection rule in molecules and materials is important for their optoelectronic applications including spectroscopic analysis, display technology and quantum…
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…
We have carried out first-principles calculations on electronic properties of graphene quantum dots embedded in hexagonal boron nitride monolayer sheets. The calculations with density functional theory show that the band gaps of quantum…
Shungite quantum dots are associated with nanosize fragments of reduced graphene oxide similarly to synthetic graphene quantum dots thus forming a common class of GQDs. Colloidal dispersions of powdered shungite in water, carbon…
Spin-polarized density functional theory calculations have been performed on armchair graphene quantum dots and boron-nitride quantum dots (A-G/BN-QDs) and the effect of carbon/boron-nitride substitution on the electronic properties of…
Intense efforts have been made in recent years to realize nonlinear optical interactions at the single-photon level. Much of this work has focused on achieving strong third-order nonlinearities, such as by using single atoms or other…