相关论文: Coherent transport of armchair graphene constricti…
We analyze theoretically 4-terminal electronic devices composed of two crossed graphene nanoribbons (GNRs) and show that they can function as beam splitters or mirrors. These features are identified for electrons in the low-energy region…
We investigate the low-field phonon-limited mobility in armchair graphene nanoribbons (GNRs) using full-band electron and phonon dispersion relations. We show that lateral confinement suppresses the intrinsic mobility of GNRs to values…
Graphene nanoribbon (GNR) emerges as an exceptionally promising channel candidate due to its tunable sizable bandgap (0-3 eV), ultrahigh carrier mobility (up to 4600 cm^(2) V^(-1) s^(-1)), and excellent device performance (current on-off…
By means of quantum Monte Carlo (QMC) calculations from first principles, we study the ground-state properties of the narrowest zigzag graphene nanoribbon, with an infinite linear acene structure. We show that this quasi-one-dimensional…
We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…
On-surface synthesis enables the fabrication of atomically precise graphene nanoribbons (GNRs) with properties defined by their shape and edge topology. While this bottom-up approach provides unmatched control over electronic and structural…
Zigzag phosphorene nanoribbons have quasi-flat band edge modes entirely detached from the bulk states. We analytically study the electronic transport through such edge states in the presence of a localized defect for semi-infinite and…
We have elaborately studied the electronic structure of 555-777 divacancy (DV) defected armchair edged graphene nanoribbon (AGNR) and transport properties of AGNR based two-terminal device constructed with one defected electrode and one N…
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…
We present a theory to study gas molecules adsorption on armchair graphene nanoribbons (AGNRs) by applying the results of \emph{ab} \emph{initio} calculations to the single-band tight-binding approximation. In addition, the effect of edge…
The interplay between uniaxial strain and charging effects in zigzag graphene nanoribbons (ZGNR) is investigated by using non-equilibrium Green's function formalism. The I-V characteristic curves and especially negative differential…
If a device like a graphene nanoribbon (GNR) has all its four corners attached to electric current leads, the device becomes a quantum junction through which two electrical circuits can interact. We study such system theoretically for…
We study the electrical modulation of the transport properties of silicene constrictions with different geometrical structures by adopting the tight-binding model and non-equilibrium Green's function method. The band structure and…
We have investigated the effect of twisting on electronic band structure, effective mass and carrier mobilities of three prototypes of AGNRs (N=6, 7 & 8) using Density functional theory combined with Deformation potential theory and…
Graphene is the first truly two-dimensional (2D) material, possessing a cone-like energy spectrum near the Fermi energy and treated as a gapless semiconductor. Its unique properties trigger researchers to find more applications of it, such…
Disorder effects on the density of states and electronic conduction in metallic carbon nanotubes are analyzed by a tight binding model with Gaussian bond disorder. Metallic armchair and zigzag nanotubes are considered. We obtain a…
We present theoretical simulations of the electronic properties of graphene-like two-dimensional (2D) carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings. These networks can be…
We report a first-principles study of the electronic structure of functionalized graphene nano-ribbon (aGNRs-f) by organic functional group (CH2C6H5) and find that CH2C6H5 functionalized group does not produce any electronic states in the…
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…
Atomically precise armchair graphene nanoribbons of width $N=7$ (7-AGNRs) are investigated by scanning tunneling spectroscopy (STS) on Au(111). The analysis of energy-dependent standing wave patterns of finite length ribbons allows, by…