Related papers: Enhancing Thermoelectric Properties Through a Thre…
We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining a local chemical tuning of the molecular electronic states with the use of semiconducting electrodes. The former allows to control the…
We propose a near-field inelastic thermoelectric heat engine where quantum-dots are used to effectively rectify the charge flow of photo-carriers. The device converts near-field heat radiation into useful electrical power. Heat absorption…
Three-terminal coherent conductors are able to perform as quantum thermocouples when the heat absorbed from one terminal is transformed into useful power in the other two. Allowing for a phase coherent coupling to the heat source, we…
It was recently suggested that molecular junctions would be excellent elements for efficient and high-power thermoelectric energy conversion devices. However, experimental measurements of thermoelectric conversion in molecular junctions…
We investigate theoretically the thermoelectric transport through a circuit implementation of the three-channel "charge" Kondo model quantum simulator [Z. Iftikhar et al., Science 360, 1315 (2018)]. The universal temperature scaling law of…
We study the thermoelectric properties of three-dimensional topological insulators in magnetic fields with many holes (or pores) in the bulk. We find that at high density of these holes in the transport direction the thermoelectric figure…
Nanoscale conductors are interesting for thermoelectrics because of their particular spectral features connecting separated heat and particle currents. Multiterminal devices in the quantum regime benefit from phase-coherent phenomena, which…
The transport coefficients of disordered media are analyzed using direct numerical simulation and effective medium theory. The results indicate a range of materials parameters for which disorder leads to an enhanced power factor. This…
We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene monomers, dimers, and trimers are computed through three…
Thermoelectric conductance of an edge mode is investigated. The edge modes of a $2D $ and $3D$ two band model with parabolic dispersion is considered. For the the one dimensional non interacting fermions the thermal conductivity computed…
We report the machine learning (ML)-based approach allowing thermoelectric generator (TEG) efficiency evaluation directly from 5 parameters: 2 physical properties - carriers density and energy gap, and 3 engineering parameters - external…
In this study, by means of classical molecular dynamics simulations, we investigated the thermal transport properties of hexagonal single-layer, zinc-blend and wurtzite phases of BN, AlN, and GaN crystals, which are very promising for the…
Research on thermoelectrical energy conversion, the reuse of waste heat produced by some mechanical or chemical processes to generate electricity, has recently gained some momentum. The calculation of the electronic parameters entering the…
Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbons. It is found that there is a competition between the edge…
Quantum heat transport devices are currently intensively studied in theory. Experimental realization of quantum heat transport devices is a challenging task. So far, they have been mostly investigated in experiments with ultra-cold atoms…
We show that in mesoscopic four-terminal thermoelectric devices with two electrodes (the source and the drain) and two heat baths, inelastic scattering processes can lead to unconventional thermoelectric transport. The source (or the drain)…
Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…
The formalism for a linear-response many-body treatment of the electronic contributions to thermal transport is developed for multilayered nanostructures. By properly determining the local heat-current operator, it is possible to show that…
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…