Related papers: Visualization the electrostatic potential energy m…
We perform a detailed analysis of electronic polarizability of graphene with different theoretical approaches. From Kubo's linear response formalism, we give a general expression of frequency and wave-vector dependent polarizability within…
Graphene is an attractive material for broadband photodetection but suffers from weak light absorption. Coating graphene with quantum dots can significantly enhance light absorption and create extraordinarily high photo gain. This high gain…
In this paper we present generic properties of quantum transport in mono-layer graphene. In the scheme of the Kubo-Geenwood formula, we compute the square spreading of wave packets of a given energy with is directly related to conductivity.…
In the context of fast developing quantum technologies, locating single quantum objects embedded in solid or fluid environment while keeping their properties unchanged is a crucial requirement as well as a challenge. Such "quantum…
We perform a numerical simulation of mapping of charge confined in quantum dots by the scanning probe technique. We solve the few-electron Schr\"odinger equation with the exact diagonalization approach and evaluate the energy maps in…
We suggest a simple approach to calculate the local density of states that effectively applies to any structure created by an axially symmetric potential on a continuous graphene sheet such as circular graphene quantum dots or rings.…
Graphite is a ubiquitous electrode material with particular promise for use in e.g., energy storage and desalination devices, but very little is known about the properties of the graphite-electrolyte double layer at technologically relevant…
This paper considers the probability density and current distributions generated by a point-like, isotropic source of monoenergetic charges embedded into a uniform magnetic field environment. Electron sources of this kind have been realized…
We present realistic simulations of quantum confinement effects in ballistic graphene quantum dots with linear dimensions of 10 to 40 nm. We determine wavefunctions and energy level statistics in the presence of disorder resulting from edge…
There is a wide range of science and applications accessible via the strain engineering of quantum transport in 2D materials. We propose a realistic experimental platform for uniaxial strain engineering of ballistic charge transport in…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Destructive quantum interference (QI) has been a source of interest as a new paradigm for molecular electronics as the electronic conductance is widely dependent on the occurrence or absence of destructive QI effects. In order to interpret…
Exchange interaction has been studied for electrons in coupled quantum dots (QD's) by a configuration interaction method using confinement potentials with different profiles. The confinement potential has been parametrized by a two-centre…
Most of the performances of electrochemical devices are governed by molecular processes taking place at the solution-electrode interfaces and molecular simulation are the main way to study these processes. Aqueous electrochemical systems…
Electronic properties of triangular and hexagonal nano-scale quantum dots (QDs) of Silicene and bilayer graphene are studied. It is shown that the low-energy edge-localized electronic states, existing within the size-quantized gap are…
We consider a quantum dot described by a cylindrically symmetric 2D Dirac equation. The potentials representing the quantum dot are taken to be of different types of potential configuration, scalar, vector and pseudo-scalar to enable us to…
We theoretically investigate the spectrum of a single electron double quantum dot, defined by top gates in a graphene with a substrate induced gap. We examine the effects of electric and magnetic fields on the spectrum of localized states,…
The accurate description of electrostatic interactions remains a challenging problem for fitted potential-energy functions. The commonly used fixed partial-charge approximation fails to reproduce the electrostatic potential at short range…
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…
Bilayer graphene samples may exhibit regions where the two layers are locally delaminated forming a so-called quantum blister in the graphene sheet. Electron and hole states can be confined in this graphene quantum blisters (GQB) by…