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We theoretically study the atomic structure and energetics of silicon and silicon-nitrogen impurities in graphene. Using density-functional theory, we get insight into the atomic structures of the impurities, evaluate their formation…
Nanostructured superlattices are promising materials for novel electronic devices due to their adjustable physical properties. Periodic superlattices facilitate coherent phonon thermal transport due to constructive wave interference at the…
We show that 1D lattice models exhibit superdiffusive transport in the presence of random "nodal impurities" in the absence of interaction. Here a nodal impurity is defined as a localized state, the wave function of which has zeros (nodes)…
We report a first-principles based study of mesoscopic quantum transport in chemically doped graphene nanoribbons with a width up to 10 nm. The occurrence of quasibound states related to boron impurities results in mobility gaps as large as…
Graphene nanoribbons provide an opportunity to integrate phase-coherent transport phenomena with nanoelectromechanical systems (NEMS). Due to the strain induced by a deflection in a graphene nanoribbon resonator, coherent electron transport…
Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons Nano Lett. 2024, 24, 10718-10723 exhibit tunable properties through periodic porosity, enabling precise control over their electronic, optical, thermal, and mechanical…
This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene…
Electronic transport properties in armchair shaped edges graphene nanoribbons (AGNRs) doped various impurities have been simulated by the non-equilibrium Green's function approach combined with the first principle calculation based on the…
We present a systematic study of electron backscattering phenomena during conduction for graphene nanoribbons with single-vacancy scatterers and dimensions within the capabilities of modern lithographic techniques. Our analysis builds upon…
We investigate theoretically the electronic transport properties in narrow graphene ribbons with an adatom-induced defect. It is found that the lowest conductance step of a metallic graphene nanoribbon may develop a dip even down to zero at…
In this review we highlight recent theoretical and experimental work on sublattice asymmetric doping of impurities in graphene, with a focus on substitutional Nitrogen dopants. It is well known that one current limitation of graphene in…
The electric conductance of a strip of undoped graphene increases in the presence of a disorder potential, which is smooth on atomic scales. The phenomenon is attributed to impurity-assisted resonant tunneling of massless Dirac fermions.…
Conductance fluctuations produced by the presence of disorder in zigzag and armchair graphene nanoribbons are studied. We show that quantum transport in zigzag nanoribbons takes place via edge states which are exponentially localized, as in…
The state of vanishing friction known as superlubricity has important applications for energy saving and increasing the lifetime of devices. Superlubricity detected with atomic force microscopy appears in examples like sliding large…
Armchair graphene nanoribbons are a highly promising class of semiconductors for all-carbon nanocircuitry. Here, we present a new perspective on their electronic structure from simple model Hamiltonians and $\textit{ab initio}$…
We study the electronic and transport properties of heterostructures formed by armchair graphene nanoribbons with intersections of finite length. We describe the system by a tight-binding model and calculate the density of states and the…
Graphene nanoribbons and constrictions are envisaged as fundamental components of future carbon-based nanoelectronic and spintronic devices. At nanoscale, electronic effects in these devices depend heavily on the dimensions of the active…
We study the transport property for armchair-edge graphene nanoribbons (AGNRs) with an adatom coupling to a semi-infinite quantum wire. Using the nonequilibrium Green's function approach with tight-binding approximation, we demonstrate that…
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…
From the moment atomic precision control of the growth process of graphene was achieved, more elaborated carbon allotropes were proposed opening new channels for flat optoelectronics at the nanoscale. A special type of this material…