Related papers: High Thermoelectric Performance in Two-Dimensional…
A high power factor and low lattice thermal conductivity are two essential ingredients of highly efficient thermoelectric materials. Although monolayers of transition metal dichalcogenides possess high power factors, high lattice thermal…
The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory. Compared with many…
Thermoelectric materials, enabling direct waste-heat to electricity conversion, need to be highly electrically conducting while simultaneously thermally insulating. This is fundamentally challenging since electrical and thermal conduction…
Two-dimensional (2D) semiconductors offer a promising prospect for high-performance and energy-efficient devices especially in the sub-10 nm regime. Inspired by the successful fabrication of 2D $\beta$-TeO$_2$ and the high on/off ratio and…
By means of extensive ab initio calculations, a new two-dimensional (2D) atomic material tin selenide monolayer (coined as tinselenidene) is predicted to be a semiconductor with an indirect gap (1.45 eV) and a high hole mobility (of order…
Two-dimensional metals offer intriguing possibilities to explore metallicity and other related properties in systems with reduced dimensionality. Here, following recent experimental reports of synthesis of two-dimensional metallic gallium…
The design of uranium-based thermoelectric materials presents a novel and intriguing strategy for directly converting nuclear heat into electrical power. Using high-level first-principles approach combined with accurate solution of…
We explore a material design strategy to optimize the thermoelectric power factor. The approach is based on screening the band structure changes upon a controlled volume change. The methodology is applied to the binary silicides and…
Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling electronic…
The combination of high-quality Al2O3 dielectric and thiol chemistry passivation can effectively reduce the density of interface traps and Coulomb impurities of WS2, leading to a significant improvement of the mobility and a transition of…
With the miniaturization and integration of nanoelectronic devices, efficient heat removal becomes a key factor affecting the reliable operation of the nanoelectronic device. With the high intrinsic thermal conductivity, good mechanical…
Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…
We calculate the lattice thermal conductivities of the pyrite-type ZnSe2 at pressures of 0 and 10 GPa using the linearized phonon Boltzmann transport equation. We obtain a very low value [0.69 W/(mK) at room temperature at 0 GPa],…
Polycrystalline Sb 2 Te 3-x Se x (0.0 < x < 1.0) samples were synthesized by the solid state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess the Rhombohedral crystal symmetry…
We present ab initio electronic structure calculations based on density functional theory for the thermoelectric properties of Bi$_2$Te$_3$ films. Conductivity and thermopower are computed in the diffusive limit of transport based on the…
Using nonequilibrium Monte Carlo simulations of the phonon Boltzmann transport equation, we study transient heat transfer in five indium-based two-dimensional monolayers: Janus monolayers In$_2$SeTe and In$_2$SSe, pristine InSe, and InSe…
Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phononic transport. These two characteristics usually can not…
Results of the measurements of thermoelectric properties of thin semiconductor microwires of Pb1-xTlxTe (x=0,001-0,02, d=5-100mkm) in the temperature region 4,2-300 K, which were obtained from solution melt by the filling of the quartz…
The record-breaking thermoelectric performance of tin selenide (SnSe) has motivated the investigation of analogue compounds with the same structure. A promising candidate that emerged recently is germanium selenide (GeSe). Here, using…
The waste heat management becomes very important with increasing energy demand and limited fossil resources. Here, we demonstrate thermoelectric performance of allotropic TeSe2. Based on the first-principle calculations, we confirm the…