相关论文: Understanding resonant charge transport through we…
Single-molecule electronics has been envisioned as the ultimate goal in the miniaturisation of electronic circuits. While the aim of incorporating single-molecule junctions into modern technology still proves elusive, recent developments in…
Molecular conduction operating in dielectric solvent environments are often described using kinetic rates based on Marcus theory of electron transfer at a molecule-metal electrode interface. However, the successive nature of charge transfer…
The electronic transport properties through junctions in nanographite ribbons are investigated using the Landauer approach. In the low-energy regime ribbons with zigzag boundary have a single conducting channel of edge states. The…
We study contact effects on electron transport across a molecular wire sandwiched between two semi-infinite (carbon) nanotube leads as a model for nanoelectrodes. Employing the Landauer scattering matrix approach we find that the…
Real-world samples of graphene often exhibit various types of out-of-plane disorder -- ripples, wrinkles and folds -- introduced at the stage of growth and transfer processes. These complex out-of-plane defects resulting from the interplay…
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…
We present a comprehensive theory of spin transport in a non-degenerate semiconductor that is in contact with multiple ferromagnetic terminals. The spin dynamics in the semiconductor is studied during a perturbation of a general,…
Electron transport in graphene is along the sheet but junction devices are often made by stacking different sheets together in a "side-contact" geometry which causes the current to flow perpendicular to the sheets within the device. Such…
Electrons in graphene, behaving as massless relativistic Dirac particles, provide a new perspective on the relation between condensed matter and high-energy physics. We discuss atomic collapse, a novel state of superheavy atoms stripped of…
In this paper, we develop a quantum transport theory to describe photonic transport in photonic networks. The photonic networks concerned in the paper consist of all-optical circuits incorporating photonic bandgap waveguides and driven…
The scattering matrix approach to phase-coherent transport is generalized to nonlinear ac-transport. In photon-assisted electron transport it is often only the dc-component of the current that is of experimental interest. But ac-currents at…
Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…
Electronic transport in a graphene-based ferromagnetic/normal/ferromagnetic junction is investigated by means of Landauer-B\"{u}ttiker formulism and the nonequilibrium Green's function technique. For the zigzag edge case, the results show…
We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [J. Chem. Phys. 137, 154107 (2012)]. To properly describe…
Graphene is believed to be an excellent candidate material for next-generation electronic devices. However, one needs to take into account the nontrivial effect of metal contacts in order to precisely control the charge injection and…
We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…
In this article, we propose a new numerical model for computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity…
Electronic transport in a zig-zag-edge graphene nanoribbon (GNR) and its modification by adsorbed transition metal porphyrins is studied by means of density functional theory calculations. The detachment reaction of the metal centre of the…
Thermal conductance of single molecular junctions at room temperature has been measured recently using picowatt-resolution scanning probes. However, fully understanding thermal transport in a much wider temperature range is needed for the…
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic polaron-type coupling has been studied in great detail, new…