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Graphynes, a class of two-dimensional carbon allotropes, exhibit exceptional electronic properties, similar to graphene, but with intrinsic band gaps, making them promising for semiconducting applications. The incorporation of acetylene…
We calculate the band structure and the conductance of periodic corrugated graphene nanoribbons within the framework of the tight-binding $p$-orbital model. We consider corrugated structures based on host ribbons with armchair and zigzag…
We use the non-equilibrium Green function (NEGF) method in the ballistic limit to provide a quantitative description of the conductance of graphene pn junctions - an important building block for graphene electronics devices. In this paper,…
Numerical calculations have been performed to elucidate unconventional electronic transport properties in disordered nanographene ribbons with zigzag edges (zigzag ribbons). The energy band structure of zigzag ribbons has two valleys that…
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…
The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport…
By applying tight binding model, we investigate the electronic and transport properties of randomly distributed Stone-Wales (SW) defects on an armchair graphene nanoribbon (AGNR). We use four different functions, as distribution functions,…
Graphene samples can have a very high carrier mobility if influences from the substrate and the environment are minimized. Embedding a graphene sheet into a heterostructure with hexagonal boron nitride (hBN) on both sides was shown to be a…
An efficient computational methodology is used to explore charge transport properties in chemically-modified (and randomly disordered) graphene-based materials. The Hamiltonians of various complex forms of graphene are constructed using…
Armchair biphenylene nanoribbons are investigated by using density functional theory. The nanoribbon that contains one biphenylene subunit in a unit cell is a semiconductor with a direct band gap larger than 1 eV, while that containing four…
Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…
Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination with recent experimental developments of on-surface…
We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…
We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on…
We simulate electron transport through graphene nanoribbons of experimentally realizable size (length L up to 2 micrometer, width W approximately 40 nm) in the presence of scattering at rough edges. Our numerical approach is based on a…
A simple one-stage solution-based method was developed to produce graphene nanoribbons by sonicating graphite powder in organic solutions with polymer surfactant. The graphene nanoribbons were deposited on silicon substrate, and…
Chemically synthesized "cove"-type graphene nanoribbons (cGNRs) of different widths were brought into dispersion and drop-cast onto exfoliated hexagonal boron nitride (hBN) on a Si/SiO2 chip. With AFM we observed that the cGNRs form ordered…
The transport properties of electrons in graphene $p$-$n$ junction with uniform Kekul\'e lattice distortion have been studied using the tight-binding model and the Landauer-B\"uttiker formalism combined with the nonequilibrium Green's…
We study the electronic structure of gated graphene sheets. We consider both infinite graphene and finite width ribbons. The effect of Coulomb interactions between the electrically injected carriers and the coupling to the external gate are…
Bottom-up on-surface synthesized nanoporous graphenes (NPGs), realized as 2D arrays of laterally covalently bonded $\pi$-conjugated graphene nanoribbons (GNRs), are a family of carbon nanomaterials that are receiving increasing attention…