Related papers: Environmental Effects on the Charge Transfer Prope…
Graphene has attracted significant interest both for exploring fundamental science and for a wide range of technological applications. Chemical vapor deposition (CVD) is currently the only working approach to grow graphene at wafer scale,…
Despite the enormous interest in the properties of graphene and the potential of graphene nanostructures in electronic applications, the study of quantum confined states in atomically well-defined graphene nanostructures remains an…
We report on time-dependent density functional theory (TDDFT) calculations of the excited states of 63 different graphene quantum dots (GQDs) in square shape with side lengths 1 nm, 1.5 nm and 2 nm. We investigate the systematics and trends…
We consider an effective model for graphene with interface-induced spin-orbit coupling and calculate the quantum Hall effect in the low-energy limit. We perform a systematic analysis of the contribution of the different terms of the…
Quantum dots are artificial atoms used for a multitude of purposes. Charge defects are commonly present and can significantly perturb the designed energy spectrum and purpose of the dots. Voltage controlled exchange energy in silicon double…
Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical and electrical properties. Regarded as the thinnest and narrowest conductive mesh, it has drastically different transmission behaviours…
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…
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.…
We investigate the electronic properties of a graphene and $\alpha$-ruthenium trichloride (hereafter RuCl$_3$) heterostructure, using a combination of experimental and theoretical techniques. RuCl$_3$ is a Mott insulator and a Kitaev…
A typical graphene heterojunction device can be divided into two classical zones, where the transport is basically diffusive, separated by a "quantum active region" (e.g., a locally gated region), where the charge carriers are scattered…
Models to describe electrical conduction in quantum dot (QD) constituted films often overlook the effects of geometric disorder. We address related issues by examining the influence of the QD packing fraction (PF) on the charge transport…
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…
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…
Over many years, computational simulations based on Density Functional Theory (DFT) have been used extensively to study many different materials at the atomic scale. However, its application is restricted by system size, leaving a number of…
We explore various design principles for efficient excitation energy transport in complex quantum systems. We investigate energy transfer efficiency in randomly disordered geometries consisting of up to 20 chromophores to explore spatial…
We analyze charging effects in graphene quantum dots. Using a simple model, we show that, when the Fermi level is far from the neutrality point, charging effects lead to a shift in the electrostatic potential and the dot shows standard…
A system of electrons in two dimensions and strong magnetic fields can be tuned to create a gapped 2D system with one dimensional channels along the edge. Interactions among these edge modes can lead to independent transport of charge and…
Organic charge-transfer complexes (CTCs) formed by strong electron acceptor and strong electron donor molecules are known to exhibit exotic effects such as superconductivity and charge density waves. We present a low-temperature scanning…
We describe charging a quantum dot induced electrostatically within a semiconducting graphene nanoribbon by electrons or holes. The applied model is based on a tight-binding approach with the electron-electron interaction introduced by a…
Surface graphene guides were interfaced with an array of individual semiconductor quantum dots, whose position was commensurate with the optical guide modes. The surface guide served as a channel for a Field Effect Transistor (FET) while…