Related papers: Computational Determination of the Electronic Stru…
In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNF) or graphene quantum dots (GQD) are relevant for their electronic structure, thermal stability and optical properties. Using computer…
Laterally localized electronic states are identified on a single layer of graphene on ruthenium. The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a quantum dot array, evidenced by…
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…
We investigate curvature effects on geometric parameters, energetics and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely…
Density functional theory (DFT) and thermal DFT (thDFT) calculations were used to evaluate the energy band structure, bandgap, and the total energy of various graphene quantum dots (GQDs). The DFT calculations were performed using local…
Graphene nanoribbons (GNRs) are one-dimensional nanostructures predicted to display a rich variety of electronic behaviors. Depending on their structure, GNRs realize metallic and semiconducting electronic structures with band gaps that can…
Stimulated by recent advances in isolating graphene, we discovered that quantum dot can be trapped in Z-shaped graphene nanoribbon junciton. The topological structure of the junction can confine electronic states completely. By varying…
Carbon nanotubes are a feverishly-studied topic in the scientific community as of late. Mathematically, they can be modeled with a quantum graph. Here we consider a structure somewhat similar to carbon nanotubes, another quantum graph that…
It has been recently shown that a nanostructure composed of a quantum dot surrounded by a quantum ring possesses a set of very unique characteristics that make it a good candidate for future nanoelectronic devices. Its main advantage is the…
The carbon nanostructures are perspective materials for the future applications. This has two reasons: first, the hexagonal atomic structure which enables a high molecular variability by placing different kinds of the defects and second,…
Graphene's intrinsically corrugated and wrinkled topology fundamentally influences its electronic, mechanical, and chemical properties. Experimental techniques allow the manipulation of pristine graphene and the controlled production of…
Materials with optimized band gap are needed in many specialized applications. In this work, we demonstrate that Hellmann-Feynman forces associated with the gap states can be used to find atomic coordinates with a desired electronic density…
The band modulation of the silicene and graphene quantum dots is investigated by a first-principles method. This study includes the ordinary silicene and graphene quantum dots and the embedded quantum dots in the hydrogenated silicene and…
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…
In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…
Graphene nanoribbons with perfect edges are predicted to exhibit interesting electronic and spintronic properties, notably quantum-confined bandgaps and magnetic edge states. However, graphene nanoribbons produced by lithography have, to…
Graphene nanoribbon quantum dot qubits have been proposed as promising candidates for quantum computing applications to overcome the spin-decoherence problems associated with typical semiconductor (e.g. GaAs) quantum dot qubits. We perform…
Quantum shape effect appears under the size-invariant shape transformations of strongly confined structures. Such a transformation distinctively influences the thermodynamic properties of confined particles. Due to their characteristic…
We study an array of graphene nano sheets that form a two-dimensional S = 1/2 Kagome spin lattice used for quantum computation. The edge states of the graphene nano sheets are used to form quantum dots to confine electrons and perform the…
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…