Related papers: Thermodefect voltage in graphene nanoribbon juncti…
We study the electronic contribution to the main thermoelectric properties of a molecular junction consisting of a single quantum dot coupled to graphene external leads. The system electrical conductivity (G), Seebeck coefficient ($S$), and…
In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…
We theoretically analyze the thermoelectric properties of graphene quantum dot arrays (GQDAs) with line- or surface-contacted metal electrodes. Such GQDAs are realized as zigzag graphene nanoribbons (ZGNRs) with periodic vacancies. Gaps and…
Heat is a familiar form of energy transported from a hot side to a colder side of an object, but not a notion associated with microscopic measurements of electronic properties. A temperature difference within a material causes charge…
Using density functional theory combined with a Green's function scattering approach, we examine the thermoelectric properties of hetero-nanoribbons formed from alternating lengths of graphene and boron nitride. In such structures, the…
Nonlinear electrical properties of graphene-based three-terminal nanojunctions are presented. Intrinsic rectification of voltage is observed up to room temperature. The sign and the efficiency of the rectification can be tuned by a gate.…
The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect (substitution of C by Si atom) is investigated by non-equilibrium Green's function (NEGF) formalism combined with first-principle calculations…
Thermal rectification in thickness asymmetric graphene nanoribbons connecting single-layer with multi-layer graphene is investigated by using classical nonequilibrium molecular dynamics. It is reported that the graphene nanoribbons with…
Thermoelectric properties of a nanocontact made of two capped single wall nanotubes (SWNT) are calculated within the tight-binding approximation and Green's function method. It is found that semiconducting nanotubes can have high Seebeck…
We report the realization of top-gated graphene nanoribbon field effect transistors (GNRFETs) of ~10 nm width on large-area epitaxial graphene exhibiting the opening of a band gap of ~0.14 eV. Contrary to prior observations of disordered…
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…
The thermoelectric voltage developed across an atomic metal junction (i.e., a nanostructure in which one or a few atoms connect two metal electrodes) in response to a temperature difference between the electrodes, results from the quantum…
Although it was demonstrated that discrete molecular levels determine the sign and magnitude of the thermoelectric effect in single-molecule junctions, full electrostatic control of these levels has not been achieved to date. Here, we show…
Graphene nanoribbons (GNRs) are a novel and intriguing class of materials in the field of nanoelectronics, since their properties, solely defined by their width and edge type, are controllable with high precision directly from synthesis.…
Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair…
Unlike in conventional semiconductors, both the chemical potential and the band gap in bilayer graphene (BLG) can be tuned via application of external electric field. Among numerous device implications, this property also designates BLG as…
Using wave function matching approach and employing the Landauer-Buttiker formula a ferromagnetic graphene junction with a temperature gradient across the system, is studied. We calculate the thermally induced charge and spin current as…
With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…
We investigate the mesoscopic disorder induced rms conductance variance $\delta G$ in a few layer graphene nanoribbon (FGNR) contacted by two superconducting (S) Ti/Al contacts. By sweeping the back-gate voltage, we observe pronounced…
We study the transport properties, in particular, the thermoelectric figure of merit ZT of armchair graphene nanoribbons, AGNR-N (for N=4-12, with widths ranging from 3.7 to 13.6~\AA) through strain engineering, where N is the number of…