Related papers: Heat conduction across molecular junctions between…
The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…
Motivated by recent experiments on electronic transport through a carbon nanotube, we investigate the role of the intra- and inter-orbital Coulomb interactions on the temperature evolution of the conductance. It is shown that small amount…
We have numerically studied heat conduction in a few one-dimensional momentum-conserving lattices with asymmetric interparticle interactions by the nonequilibrium heat bath method, the equilibrium Green-Kubo method, and the heat current…
We demonstrate control over heat flow in an N-terminal molecular junction. Using simple model Hamiltonians we show that the heat current through two terminals can be tuned, switched, and amplified, by the temperature and coupling parameters…
In this article we review aspects of charge and heat transport in interacting quantum dots and molecular junctions under stationary and time-dependent non-equilibrium conditions due to finite electrical and thermal bias. In particular, we…
In molecular devices electronic degrees of freedom are coupled to vibrational modes of the molecule, offering an opportunity to study fundamental aspects of this coupling between at the nanoscale. To this end we consider the nonequilibrium…
The influence of an intramolecular proton transfer reaction on the conductance of a molecular junction is investigated employing a generic model, which includes the effects of the electric field of the gate and leads electrodes and the…
We investigate the quantum heat exchange between a nanojunction and a many-body or electromagnetic environment far from equilibrium. It is shown that the two-temperature energy emission-absorption mechanism gives rise to a giant heat flow…
We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…
So far transport properties of nanoscale contacts have been mostly studied within the static scattering approach. The electron dynamics and the transient behavior of current flow, however, remain poorly understood. We present a numerical…
Coherent electronic transport through individual molecules is crucially sensitive to quantum interference. Using exact diagonalization techniques, we investigate the zero-bias and zero-temperature conductance through $\pi$-conjugated…
Using nonequilibrium and equilibrium molecular dynamics simulations, we investigate heat conduction in a momentum-conserving mesoscopic fluid modeled by multiparticle collision dynamics. Across quasi-two-dimensional (q-2D) to…
We present measurements of the electrical conductance $G$ at room temperature of mechanically controllable break junctions (MCBJ) fabricated from Au in different solvents (octane, DCM, DMSO, and toluene) and compare with measurements in air…
We propose a model with a quantized degree of freedom to study the heat transport in quasi-one dimensional system. Our simulations reveal three distinct temperature regimes. In particular, the intermediate regime is characterized by heat…
Heat conduction of one-dimensional chain of equivalent rigid particles in the field of external on-site potential is considered. Zero diameters of the particles correspond to exactly integrable case with divergent heat conduction…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
We investigate heat circulators where a phase coherent region is contacted by three leads that are either normal- or superconducting. A magnetic field, and potentially the superconducting phases, allow to control the preferential direction…
We present a theoretical study of the heat dissipation in single-molecule junctions. In order to investigate the heat dissipation in the electrodes and the relationship between the transmission spectra and the electronic structures, we…
We study the heat transport properties of a chain of coupled quantum harmonic oscillators in contact at its ends with two heat reservoirs at distinct temperatures. Our approach is based on the use of an evolution equation for the density…
In this work, we study the thermalization between two bodies separated by a vacuum gap by coupling the non-Fourier behavior of the materials with the radiative heat transfer in the near-field. Unlike the diffusion-type temperature profile,…