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Thermoelectrical properties are frequently used to characterize the materials and endow the free energy from wasted heat for useful purposes. Here, we show that linear thermoelectric effects in tunnel junctions with Fe-based…
The thermoelectric transport through a benzene molecule with three metallic terminals is discussed. Using general local and non-local transport coeffcients, we investigated different conductance and thermopower coefficients within the…
We investigate the thermoelectric response of single-molecule junctions composed of acyclic cross-conjugated molecules, including dendralene analogues and related iso-poly(diacetylene) (iso-PDA) motifs, in which node-possessing repeat units…
We investigate the thermopower of a metal-molecule-metal junction taking into account thermal effects on the junction. Based on analytical expressions and numerical simulations we show that the thermoelectric potential reveals valuable…
We show that a huge thermoelectric effect can be observed by contacting a superconductor whose density of states is spin-split by a Zeeman field with a ferromagnet with a non-zero polarization. The resulting thermopower exceeds $k_B/e$ by a…
Thermoelectric effects result from the coupling of charge and heat transport, and can be used for thermometry, cooling and harvesting of thermal energy. The microscopic origin of thermoelectric effects is a broken electron-hole symmetry,…
The usually negligibly small thermoelectric effects in superconducting heterostructures can be boosted dramatically due to the simultaneous effect of spin splitting and spin filtering. Building on an idea of our earlier work [Phys. Rev.…
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…
Several models of thermionic energy nanoconverters have been proposed to study the transport phenomena that take place in electronic devices. For example, in resonant tunneling junctions those phenomena are manifested through the…
Recent developments in nanoscale experimental techniques made it possible to utilize single molecule junctions as devices for electronics and energy transfer with quantum coherence playing an important role in their thermoelectric…
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…
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…
The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory combined with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on…
The energy efficiency and power of a three-terminal thermoelectric nanodevice are studied by considering elastic tunneling through a single quantum dot. Facilitated by the three-terminal geometry, the nanodevice is able to generate…
Thermoelectricity is generally understood as a classical effect emerging from energy-dependent transport asymmetries. Here we uncover a purely quantum mechanism, where a superconducting S-I-S' tunnel junction in thermal equilibrium develops…
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…
Motivated by recent experiments [Lee et al. Nature 498, 209 (2013)], we present here a detailed theoretical analysis of the Joule heating in current-carrying single-molecule junctions. By combining the Landauer approach for quantum…
Critical thermoelectric parameters including Seebeck coefficient, electrical conductivity, thermal conductivity and figure of merit ZT of one-dimensional coaxial Bi2Te3/Sb2Te3 nanocomposite were modeled by following the single carrier…
Using first-principles approaches, we have investigated the thermoelectric properties and the energy conversion efficiency of the paired metal-Br-Al junction. Owing to the narrow states in the vicinity of the chemical potential, the…
The quest for good thermoelectric materials and/or high-efficiency thermoelectric devices is of primary importance from theoretical and practical points of view. Low-dimensional structures with quantum dots or molecules are promising…