相关论文: High thermoelectric performance of two-dimensional…

We investigate the structural, mechanical, and thermoelectric properties of lead-free double halide perovskites Cs2TeX6 (X = Cl, Br, I) using first-principles calculations and semiclassical Boltzmann transport theory. The HSE06 band gap is…

High-performance thermoelectric (TE) materials are crucial for efficient waste-heat recovery and solid-state cooling technologies. A persistent challenge in TE materials design arises from the strong interdependence among the electrical…

We present the first thermoelectric measurements on pentacene field effect transistors. We report high values of the Seebeck coefficient at room temperature between 240 and 500 micro V/K depending on the dielectric surface treatment. These…

Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…

Lead and tin chalcogenides have been studied widely due to their promising thermoelectric (TE) properties. Further enhancement in their TE efficiency has been reported upon the reduction of the dimension, which is an important feature in…

The lattice thermal conductivity and thermal transport properties of 2D $\alpha$-selenene are investigated based on the first-principles calculations. The isotropic in-plane thermal conductivity is as low as 3.04 W m$^{-1}$ K$^{-1}$ at room…

Here, we present the phonon calculations for thermodynamic properties, thermal expansion and lattice thermal conductivity of Fe$_{2}$VAl in the temperature range of $300-800$ K and compared with existing experiment. Phonon dispersion is…

Thermoelectric (TE) devices have been attracting increasing attention because of their ability to convert heat directly to electricity. To date, improving the TE figure of merit remains the key challenge. The advent of the topological…

We study theoretically the effects of anisotropy on the thermoelectric performance of $p$-type AgBiSe$_2$. We present an apparent realization of the thermoelectric benefits of one-dimensional "plate-like" carrier pocket anisotropy in the…

PdTe is a superconductor with Tc ~4.25 K. Recently, evidence for bulk-nodal and surface-nodeless gap features has been reported in PdTe [Yang et al., Phys. Rev. Lett. 130, 046402 (2023)]. Here, we investigate the physical properties of PdTe…

We design a hybrid graphene/hexagonal boron nitride superlattice monolayer and investigate its thermoelectric properties using density functional theory and Boltzmann transport equations with the relaxation time accurately treated by…

Two-dimensional (2D) materials have garnered considerable attention as an emerging thermoelectric (TE) material owing to their unique density of state (DOS) near the Fermi level. We investigate the TE performance of Janus $\beta$-PdXY…

We report the crystal growth and structural and electronic properties of superconducting, van der Waals layered PtTe. Easily cleavable crystals with a plate-like morphology consistent with the layered structure were grown from a platinum…

The potential of bulk black-phosphorus for thermoelectric applications has been experimentally studied. The Seebeck Coefficient (S) has been measured in the temperature range from 300 K to 385 K, finding a value of S = +335 +- 10 uV/K at…

A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transport properties of the oxidized form of phosphorene called…

We report electrical and thermal transport properties of polycrystalline ZrTe3. The polycrystalline sample shows semiconducting behavior in contrast to the established semi-metallic character of the compound. However the charge density wave…

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…

The band structure of the novel low-temperature thermoelectric material, \CBT, is calculated and analyzed using the semi-classic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties a…

We investigated the thermoelectric properties of the 2D monolayer of WX2N4 using Density Functional Theory combined with Boltzmann Transport Equation. We obtained an outstanding thermoelectric figure of merit of 0.91 at 400K for p-type…

We present a model for P-N-P abrupt heterostructures vertical to temperature gradient to improve the thermoelectric performance. The P-N-P heterostructure is considered as an abrupt bipolar junction transistor due to an externally applied…