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Graphane is a quasi-two-dimensional material consisting of a single layer of fully hydrogenated graphene, with a C:H ratio of 1. We study nuclear quantum effects in the so-called chair-graphane by using path-integral molecular dynamics…
Graphene nanoislands (GNIs) are one of the promising building blocks for quantum devices owing to their unique potential. However, direct electrical measurements of GNIs have been challenging due to the requirement of metal catalysts in…
Graphene nanoribbons (GNRs) have attracted a strong interest from researchers worldwide, as they constitute an emerging class of quantum-designed materials. The major challenges towards their exploitation in electronic applications include…
The computational research that will be presented compares the coherent states of multiple layer graphene versus the coherent states of lithium ions diffused within this multilayer graphene. Unlike the prevailing research on graphene…
We propose and demonstrate a novel range of models to accurately determine the optical properties of nitrogen-free carbon quantum dots (CQDs) with ordered graphene layered structures. We confirm the results of our models against the full…
Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite…
We study the orbital effect of a strong magnetic field parallel to the layers on the energy spectrum of the Bernal-stacked graphene bilayer and multilayers, including graphite. We consider the minimal model with the electron tunneling…
The charge stability diagram for two coupled quantum dots containing up to two electrons is computed in magnetic fields. One- and two-particle Schroedinger equations are solved by exact diagonalization to obtain the chemical potentials and…
We have investigated the quantum capacitance ($C_Q$) in functionalized graphene, modified with ad-atoms from different groups in the periodic table. Changes in the electronic band structure of graphene upon functionalization and…
While imaging individual atoms can routinely be achieved in high resolution transmission electron microscopy, visualizing the potential distribution of individually charged adsorbates leading to a phase shift of the probing electron wave is…
We have imaged a freestanding graphene sheet of 210 nm in diameter with 2 Angstrom resolution by combining coherent diffraction and holography with low-energy electrons. The entire sheet is reconstructed from just a single diffraction…
The structure of the electrical double layer (EDL) formed near graphene in aqueous environments strongly impacts its performance for a plethora of applications, including capacitive deionization. In particular, adsorption and organization…
We study the properties of a few-electron system confined in coupled elongated quantum dots (QDs) using a model Gaussian potential and the numerical exact diagonalization technique. In the absence of magnetic fields, as the aspect ratio $r$…
We study an interaction of 2D quasiparticles with linear dispersion (graphene) with impurity potentials. It is shown that in 1D potential well (quantum wire) there are discrete levels, corresponding to localized states, whereas in 2D well…
Due to Klein tunneling, electrostatic confinement of electrons in graphene is not possible. This hinders the use of graphene for quantum dot applications. Only through quasi-bound states with finite lifetime has one achieved to confine…
Point Projection Microscopy (PPM) is used to image suspended graphene using low-energy electrons (100-200eV). Because of the low energies used, the graphene is neither damaged or contaminated by the electron beam. The transparency of…
Constrained density functional theory (CDFT) is used to evaluate the energy level alignment of a benzene molecule as it approaches a graphene sheet. Within CDFT the problem is conveniently mapped onto evaluating total energy differences…
We theoretically analyse the possibility to electrostatically confine electrons in circular quantum dot arrays, impressed on contacted graphene nanoribbons by top gates. Utilising exact numerical techniques, we compute the scattering…
We have studied the transport properties of a large graphene double quantum dot under the influence of background disorder potential and magnetic field. At low temperatures, the evolution of the charge-stability diagram as a function of…
Gateable semiconductor quantum dots (QDs) provide a versatile platform for analog quantum simulations of electronic many-body systems. In particular, QD arrays offer a natural representation of the interacting $\pi$-electron system of small…