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Metallic graphene nanoribbons (GNRs) represent a critical component in the toolbox of low-dimensional functional materials technolo-gy serving as 1D interconnects capable of both electronic and quantum information transport. The structural…
We investigate the aspects of the electron transport in the zigzag graphene nanoribbons (ZGNRs) using the non-equilibrium Green's function (NEGF) formalism. The latter is an esoteric tool in mesoscopic physics and using this tool the…
The performance potential for simulating quantum electron transport on graphical processing units (GPUs) is studied. Using graphene ribbons of realistic sizes as an example it is shown that GPUs provide significant speed-ups in comparison…
With advanced synthetic techniques, a wide variety of well-defined graphene nano-ribbons (GNRs) can be produced with atomic precision. Hence, finding the relation between their structures and properties becomes important for the rational…
Atomically precise graphene nanoribbons (GNRs) are increasingly attracting interest due to their largely modifiable electronic properties, which can be tailored by controlling their width and edge structure during chemical synthesis. In…
Recent low-temperature electron transport experiments in high-quality graphene rely on a technique of doped graphene leads, where the coupling between the graphene flake and its metallic contacts is increased by locally tuning graphene to…
A first-principles investigation of the electronic and quantum transport properties of double-walled carbon nanotubes doped with nitrogen and boron atoms is presented. Concentric nanotube sidewalls separated by the typical graphitic van der…
We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…
Materials and devices used in space and advanced energy systems are continuously exposed to high-energy photons and particles, leading to gradual changes in their structural and electronic properties. Gamma-ray exposure is particularly…
Bottom-up graphene nanoribbon (GNR) heterojunctions are nanoscale strips of graphene whose electronic structure abruptly changes across a covalently bonded interface. Their rational design offers opportunities for profound technological…
Van der Waals encapsulation of two-dimensional materials within hexagonal boron nitride (h-BN) stacks has proven to be a promising way to create ultrahigh-performance electronic devices. However, contemporary approaches for achieving van…
Graphene nanoribbons (GNRs) have garnered significant interest due to their highly customizable physicochemical properties and potential utility in nanoelectronics. Besides controlling widths and edge structures, the inclusion of chirality…
The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…
We report electrical transport measurements on a suspended ultra-low-disorder graphene nanoribbon(GNR) with nearly atomically smooth edges that reveal a high mobility exceeding 3000 cm2 V-1 s-1 and an intrinsic band gap. The experimentally…
We calculate quantum transport for metal-graphene nanoribbon heterojunctions within the atomistic self-consistent Schr\"odinger/Poisson scheme. Attention is paid on both the chemical aspects of the interface bonding as well the…
Double-gated graphene devices provide an important platform for understanding electrical and optical properties of graphene. Here we present transport measurements of single layer, bilayer and trilayer graphene devices with suspended top…
Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…
We investigate the influence of low-dimensionality and disorder in phonon transport in ultra-narrow armchair graphene nanoribbons (GNRs) using non-equilibrium Greens function (NEGF) simulation techniques. We specifically focus on how…
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…
Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic…