Related papers: Enhancing Thermoelectric Properties Through a Thre…
Topological materials attract a considerable research interest because of their characteristic band structure giving rise to various new phenomena in quantum physics. Beside this, they are tempting from a functional materials point of view:…
We investigate the thermodynamic uncertainty relations (TURs) in steady-state transport for a multi-terminal system consisting of two conducting terminals and N-2 probe terminals, within the linear response regime under broken time-reversal…
In a previous work, we predicted that a thermally biased tunnel junction between two different superconductors can display a thermoelectric effect of nonlinear nature in the temperature gradient, under proper conditions. In this work we…
We use the concept of resonant tunneling to calculate the thermopower of molecular nanosystems. It turns out that the sign of the thermovoltage under resonant tunneling conditions depends sensitively on the participating molecular orbital,…
Tuning thermal transport in nanostructured materials is a powerful approach to develop high-efficiency thermoelectric materials. Using a recently developed approach based on the phonon mean free path dependent Boltzmann transport equation,…
We report a combined experimental (C-AFM and SThM) and theoretical (DFT) study of the thermoelectric properties of molecular junctions made of self-assembled monolayers on Au of thiolated benzothieno-benzothiophene (BTBT) and alkylated BTBT…
Employing universal relations for the Onsager coefficients in the linear regime at the symmetric point of the single impurity Anderson model, we calculate the conditions under which the quantum scattering phase shift should satisfy to…
We study the electronic transport coefficients and the thermoelectric figure of merit ZT in $n$-doped Mg$_3$Sb$_2$ based on density-functional electronic structure and Bloch-Boltzmann transport theory with an energy- and…
We review a series of works describing thermoelectric effects in gated disordered nanowires (field effect transistor device configuration). After considering the elastic coherent regime characterizing sub-Kelvin temperatures, we study the…
We discuss the thermoelectric (TE) transport in billiard systems of interacting particles, coupled to stochastic particle reservoirs. Recently in [1], analytical exact expressions for the TE transport of noninteracting gases of polyatomic…
We study theoretically the length dependence of both conductance and thermopower in metal-molecule-metal junctions made up of dithiolated oligophenylenes contacted to gold electrodes. We find that while the conductance decays exponentially…
We report results of theoretical studies of thermoelectric efficiency of single-molecule junctions with long molecular linkers. The linker is simulated by a chain of identical sites described using a tight-binding model. It is shown that…
A 3D thermoelectric numerical model is used to investigate different internal heat loss mechanisms for a thermoelectric generator with bismuth telluride p- and n-legs. The model considers all thermoelectric effects, temperature dependent…
Thermal transmission in a molecular transistor with fully spin-polarized electrodes subjected to a temperature gradient is considered. The problem has been solved by using density matrix method in perturbation approach over small tunneling…
We derive general relations between maximum power, maximum efficiency, and minimum dissipation regimes from linear irreversible thermodynamics. The relations simplify further in the presence of a particular symmetry of the Onsager matrix,…
The electronic and thermoelectric properties of molecular junctions formed from iron and ruthenium metal-acetylide were studied using complementary experimental techniques and quantum chemical simulations. We performed physical…
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…
We theoretically show how structural modifications and controlling quantum coherency can enhance linear and nonlinear thermoelectric performance in graphene nanostructure heat engines. Although graphene has emerged as a promising material…
In this study, we examine the thermoelectric characteristics of a system consisting of two topological superconducting nanowires, each exhibiting Majorana zero modes at their ends, connected to leads within an interferometer configuration.…
Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we present a general first-principles approach to predict, in…