Related papers: Impurity segregation in graphene nanoribbons
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…
Change of the bonding environment at the free edges of graphene monolayer leads to excess edge energy and edge force, depending on the edge morphology (zigzag or armchair). By using a reactive empirical bond-order potential and atomistic…
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…
We study the problem of non-magnetic impurities adsorbed on bilayer graphene in the diluted regime. We analyze the impurity spectral densities for various concentrations and gate fields. We also analyze the effect of the adsorbate on the…
We determine, by means of density functional theory, the stability and the structure of graphene nanoribbon (GNR) edges in presence of molecules such as oxygen, water, ammonia, and carbon dioxide. As in the case of hydrogen-terminated…
Impurities are unavoidable during the preparation of graphene samples and play an important role in graphene's electronic properties when they are adsorbed on graphene surface. In this work, we study the electronic structures and transport…
The low-energy spectrum of graphene nanoribbons with armchair edges (armchair nanoribbons) is described as the superposition of two non-equivalent Dirac points of graphene. In spite of the lack of well-separated two valley structures, the…
Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is…
We present a first-principles study of the migration and recombination of edge defects (carbon adatom and/or vacancy) and their influence on electrical conductance in zigzag graphene nanoribbons (ZGNRs). It is found that at room…
We have investigated the main scattering mechanisms affecting mobility in graphene nanoribbons using detailed atomistic simulations. We have considered carrier scattering due to acoustic and optical phonons, edge roughness, single defects,…
We report a first-principles study on electronic structures of the deformed armchair graphene nanoribbons (AGNRs). The variation of the energy gap of AGNRs as a function of uniaxial strain displays a zigzag pattern, which indicates that the…
The bottom-up fabrication graphene nanoribbons (GNRs) has opened new opportunities to specifically control their electronic and optical properties by precisely controlling their atomic structure. Here, we address excitations in GNRs with…
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…
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…
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of various widths with chemical dopants, boron and nitrogen,…
Experimentally observation of borophene nanoribbons (BNRs) motivated us to carry out a comprehensive investigation on BNRs, decomposed from {\chi}_3 sheet, using density functional theory. Our results show that the stability and also the…
We demonstrate theoretically that most of the observed transport properties of graphene sheets at zero magnetic field can be explained by scattering from charged impurities. We find that, contrary to common perception, these properties are…
Angle-resolved two-photon photoemission and high-resolution electron energy loss spectroscopy are employed to derive the electronic structure of a sub-nanometer tomically precise quasi-one-dimensional graphene nanoribbon (GNR) on Au(111).…
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…
The chapter combines analytical (statistical-thermodynamic and kinetic) with numerical (Kubo-Greenwood-formalism-based) approaches used to ascertain an influence of the configurations of point (impurities, vacancies) and line (grain…