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We study thermoelectric properties of inhomogeneous nanogranular materials for weak tunneling conductance between the grains, g_t < 1. We calculate the thermopower and figure of merit taking into account the shift of the chemical potential…
In this work, we first perform a systematic search for high-efficiency three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport techniques with density functional theory (DFT)…
The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic devices and batteries. Here, we report three previously unexplored materials with very high dielectric constants (69 $<$ $\epsilon$ $<$ 101)…
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…
Thermoelectric generators (TEGs) based on commercially used thermal super-insulating materials can facilitate sustainable and large-scale ambient waste heat recovery while bequeathing an added economic and environmental value to thermal…
Thermoelectric (TE) materials can directly convert heat into electrical energy. However, they sustain costly production procedures and batch-to-batch performance variations. Therefore, developing scalable synthetic techniques for…
Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work, we introduce a distinct computational high-throughput…
Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient,…
Thermoelectric conversion using Seebeck effect for generation of electricity is becoming an indispensable technology for energy harvesting and smart thermal management. Recently, the spin-driven thermoelectric effects (STEs), which employ…
Thermoelectric (TE) materials achieve localised conversion between thermal and electric energies, and the conversion efficiency is determined by a figure of merit zT. Up to date, two-dimensional electron gas (2DEG) related TE materials hold…
Heusler type compounds have long been recognized as potential thermoelectric (TE) materials. Here, the experimentally observed TE properties of Fe$_{2}$VAl are understood through electronic structure calculations in the temperature range of…
Our investigation explores the intricate domain of thermoelectric phenomena within silver (Ag)-infused chalcopyrites, focusing on compositions such as AgXTe$_2$ (where X=Ga, In) and the complex quaternary system Ag$_2$ZnSn/GeY$_2$ (with…
High-entropy alloys are characterized by high configurational entropy. Since the discovery of high-entropy alloys (HEA) in 2004, entropy engineering has provided a promising direction for exploiting composition, lattice disorder, band…
The study of topological quantum materials for enhanced thermoelectric energy conversion has received significant attention recently. Topological materials (including topological insulators and Dirac/Weyl/nodal-line semi-metals) with unique…
Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…
Both superconductivity and thermoelectricity offer promising prospects for daily energy efficiency applications. The advancements of thermoelectric materials have led to the huge improvement of the thermoelectric figure of merit in the past…
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity…
A numerical study of thermoelectric nanocomposites is presented. Thermoelectric properties as a function of average grain size or nanoparticle density are examined by simulating the measurements as they would be done experimentally. In…
The best thermoelectric materials are believed to be heavily doped semiconductors. The presence of a bandgap is assumed to be essential to achieve large thermoelectric power factor and figure of merit. In this work, we study HgTe as an…
The conventional thermoelectric figure of merit and the power factor are not sufficient as a measure of thin film quality of thermoelectric materials, where the power conversion efficiency depends on the film dimensions. By considering the…