相关论文: Spatial Current Patterns, Dephasing and Current Im…

Proposing new ways to organize carbon in 2D nanomaterials has been a relevant strategy in the search for systems with targeted properties for different applications. One focus is the study of fully sp$^2$ non-graphitic networks, with…

We study carrier transport through graphene on SrTiO$_3$ substrates by considering relative contributions of Coulomb and resonant impurity scattering to graphene resistivity. We establish that charged impurity scattering must dominate…

A heterojunction tunneling field effect transistor based on armchair graphene nanoribbons is proposed and studied using ballistic quantum transport simulation based on 3D real space nonequilibrium Green's function formalism. By using low…

Using the non-equilibrium Green's functions formalism in a tight binding model, the spin-dependent transport in armchair graphene nanoribbon (GNR) structures controlled by a ferromagnetic gate is investigated. Beyond the oscillatory…

The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…

We present an analytical theory for the gate electrostatics and the classical and quantum capacitance of the graphene nanoribbons (GNRs) and compare it with the exact self-consistent numerical calculations based on the tight-binding…

Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…

Deep neural networks are being increasingly used for short-term traffic flow prediction, which can be generally categorized as convolutional (CNNs) or graph neural networks (GNNs). CNNs are preferable for region-wise traffic prediction by…

By combining density functional theory and nonequilibrium Green's function, we study the electronic and transport properties of monolayer black phosphorus nanoribbons (PNRs). First, we investigate the band-gap of PNRs and its modulation by…

Spatial distribution of local tunneling conductivity was investigated for deep and shallow impurities on semiconductor surfaces. Non-equilibrium Coulomb interaction and interference effects were taken into account and analyzed theoretically…

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…

We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…

A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons with a magnetic barrier on top is presented. The magnetic barrier modifies the energy spectrum of the nanoribbons locally, which results in an…

We theoretically investigate the spin-charge transport in two-terminal device of graphene nanoribbons in the presence of an uniform uniaxial strain, spin-orbit coupling, exchange field and smooth staggered potential. We show that the…

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…

This paper aims to investigate the spin dependent transport properties in hybrid nanoribbons, using the non equilibrium Greens function method. The effects of temperature gradient between the left and right leads, the ferromagnetic exchange…

We propose a new method for atomic-scale imaging of spatial current patterns in nanoscopic quantum networks by using scanning tunneling microscopy (STM). By measuring the current flowing from the STM tip into one of the leads attached to…

Graphene nanoribbons (GNRs) are thin strips of graphene with unique properties due to their structure and nanometric dimensions. They stand out as basic components for the construction of different types of nanoelectromechanical systems…

Using the partition-free time-dependent Landauer-B{\"u}ttiker formalism for transient current correlations, we study the traversal times taken for electrons to cross graphene nanoribbon (GNR) molecular junctions. We demonstrate electron…

Here we present a flexible strategy to realize robust nanomaterials exhibiting valence electronic structures whose fundamental physics is described by the SSH-Hamiltonian. These solid-state materials are realized using atomically precise…