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Metals have high electronic conductivities, but very low Seebeck coefficients, which traditionally make them unsuitable for thermoelectric materials. Recent studies, however, showed that metals can deliver ultra-high thermoelectric power…

Thermoelectric materials intrigue much interest due to their wide range of application such as power generators and refrigerators. The efficiency of thermoelectric materials is quantified by the figure of merit, and a figure greater than…

In principle thermoelectricity is a viable route of converting waste heat into electricity, but the commercialization of the technology is limited by its present efficiency. In quest of improved materials, utilizing an \textit{ab initio}…

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…

In the quest for novel thermoelectric materials to harvest waste environmental heat, we investigate alkali metal-based Zintl phases X$_2$AgY (X = Na, K, and Y = Sb, Bi) utilizing first-principles methods. We obtain significantly low lattice…

Herein, we report the use of nanostructured crystalline Si as a thermoelectric material and its integration into thermoelectric harvesters. The proof-of-concept relies on the partial suppression of lattice thermal transport by introducing…

Black phosphorous (BP) is one of the most interesting layered materials, bearing promising potential for emerging electronic and optoelectronic device technologies. The crystalline structure of BP displays in-plane anisotropy in addition to…

We report on S-doping of ZnSb for S concentrations ranging from 0.02 at% to 2.5 at%. There are no previous reports on S-doping. ZnSb is a thermoelectric material with some advantages for the temperature range 400 K - 600 K. The solid…

We investigated the electrical conductivity, thermal conductivity and thermopower as a function of Nb content (x) in Ba0.7Eu0.3Ti1-xNbxO3 (x = 0.001- 0.10) in the temperature range T = 400-2 K. The substitution of Nb destabilizes the…

In the past decade, it has been demonstrated that monolayers of metal dichalcogenides are well-suited for thermoelectric applications. ZrX2N4 (X = Si, Ge) is a reasonable choice for thermoelectric applications when considering a favorable…

The thermoelectric figure of merit of the Heusler alloy TiFe$_{1.5}$Sb was investigated by first-principles calculations of lattice thermal conductivity. The electronic thermal conductivity, electrical conductivity, and Seebeck coefficient…

The thermoelectric power, $S(T)$, of the heavy fermions YbT$_{2}$Zn$_{20}$ ($T$ = Fe, Ru, Os, Ir, Rh, and Co) has been measured to characterize their strong electronic correlations. A large, negative, local minimum in $S(T)$ with…

We report optical enhancement in polarization and dielectric constant near room temperature in Pb0.6Li0.2Bi0.2Zr0.2Ti0.8O3 (PLBZT) electro-ceramics; these are doubly substituted members of the most important commercial ferroelectric…

To increase the performance of thermoelectric materials, the electronic parameters in the figure of merit must be improved. In this paper, we use full, numerical band structures and solve the Boltzmann equation in the relaxation time…

Silicon is one of the most frequently used chemical elements of the periodic table in nanotechnology. Two-dimensional (2D) silicene, a silicon analog of graphene, has been readily obtained to make field-effect transistors since 2015.…

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…

Thermoelectricity is the direct conversion of temperature gradient to electric voltage, and vice-versa. There are several potential applications of thermoelectricity, ranging from clean noiseless cooling, to waste-power harvesting in…

Polycrystalline lead-free Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$ (BCZT), BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (BTSn) and 0.4Ba$_{0.85}$Ca$_{0.15}$Zr$_{0.10}$Ti$_{0.90}$O$_3$-0.6BaTi$_{0.89}$Sn$_{0.11}$O$_3$ (0.4BCZT-0.6BTSn)…

Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its allotropes, are still not well-understood. In this work, we…