相关论文: Porosity-mediated High-performance Thermoelectric …
Thermoelectric materials enables the harvest of waste heat and directly conversion into electricity. In search of high efficient thermoelectric materials, low thermal conductivity of a material is essential and critical. Here, we have…
We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann…
We study the thermoelectric performance of $90^0$-bent graphene nanoribbons containing nanopores for optimized design of multiple functional circuits including thermoelectric generators. We show that the thermal conductance of the…
Currently, one of the major nanotechnological challenges is to design thermoelectric devices that have a high figure of merit. To that end, we propose to use bilayer excitons. Bilayer exciton systems are shown to have an improved…
We investigated six heavy element bismuth-based 18-VEC half-Heusler alloys CoTiBi, CoZrBi, CoHfBi, FeVBi, FeNbBi, and FeTaBi by first principles approach, in search of better thermoelectric prospects. The motivation is driven by expected…
The efficiency of energy conversion in thermoelectric generators (TEGs) is directly proportional to electrical conductivity and Seebeck coefficient while inversely to thermal conductivity. The challenge is to optimize these interdependent…
The thermoelectric properties of two typical SiGe nanotubes are investigated using a combination of density functional theory, Boltzmann transport theory, and molecular dynamics simulations. Unlike carbon nanotubes, these SiGe nanotubes…
Lack of materials which are thermoelectrically efficient and economically attractive is a challenge in thermoelectricity. Silicon could be a good thermoelectric material offering CMOS compatibility, harmlessness and cost reduction but it…
Energy filtering has been suggested by many authors as a means to improve thermoelectric properties. The idea is to filter away low-energy charge carriers in order to increase Seebeck coefficient without compromising electronic…
Half-Heusler (HH) alloys are potential thermoelectric materials for use at elevated temperatures due to their high Seebeck coefficient and superior mechanical and thermal stability. However, their enhanced lattice thermal conductivity is…
This study demonstrates the direct correlation between the presence of the L2$_1$ ordered phase and the large enhancement in the thermoelectric performance of Fe$_2$VAl thin films deposited on MgO and Al$_2$O$_3$ substrates at temperatures…
Recently, the superionic thermoelectrics, which typify the novel `phonon-liquid electron-crystal' concept, have attracted enormous attention due to their ultralow thermal conductivity and high figure-of-merit (zT). However, their high zT is…
We report about detailed dimensionless figure of merit ($ZT$) calculated by using Fermi integral method (compared with Bi$_2$Te$_3$, CoSb$_3$, and SrTiO$_3$) for thermoelectric (TE) materials' design and its module application.…
We study the thermoelectric properties of Te-doped FeSb2 nanostructured samples. Four samples of stoichiometry FeSb1.84Te0.16 were prepared by a hot press method at temperatures of 200, 400, 500, and 600 oC. Te-doping enhances the…
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…
The weighted density approximation, its implementation and its application to ferroelectric materials is discussed. Calculations are presented for several perovskite oxides and related materials. In general the weighted density…
Bulk p and n-type bismuth telluride were prepared using spark plasma texturization method. The texture development along the uniaxial load in the 001 direction is confirmed from both x-ray diffraction analysis and Electron Backscattering…
Half-Heusler phases are among the most extensively studied thermoelectic materials. Bipolar thermal conductivity analysis performed for their sub-group based on rare-earth (R) metals, RNiSb, indicated on high mobility ratio in favor of…
Two-dimensional layered materials have attracted tremendous attentions due to their extraordinary physical and chemical properties. Using first-principles calculations and Boltzmann transport theory, we give an accurate prediction of the…
Two-dimensional (2D) bismuth (Bi) layer, known as bismuthene, exhibits $Z2$ topological bulk states due to large spin-orbit coupling that inverts the bands. Using the tight-binding method, we calculate the band structure of buckled…