Related papers: Large thermoelectric efficiency of doped polythiop…
Thermal energy can be directly converted to electrical energy as a result of thermoelectric effects. Because this conversion realises clean energy technology, such as waste heat recovery and energy harvesting, substantial efforts have been…
Thermoelectric materials can generate clean energy by transforming waste heat into electricity. The effectiveness of thermoelectric materials is measured by the dimensionless figure of merit, ZT. The quest for high ZT materials has drawn…
It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric…
Thermoelectric properties of Graphene Nanoribbons doped by magnetic impurities Fe and Co are carried out in room temperature. We report on a study of the band structure dependent properties such as electrical conductivity, charge of…
We present a detailed study of the non-linear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single orbital level with strong Coulomb interaction is coupled to a localized…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
Thermoelectric effects allow the generation of electrical power from waste heat and the electrical control of cooling and heating. Remarkably, these effects are also highly sensitive to the asymmetry in the density of states around the…
In the search for more efficient thermoelectric materials, scientists have placed high hopes in the possibility of enhancing the power factor using resonant states. In this study, we investigate theoretically the effects of randomly…
We study the thermoelectric properties of three-dimensional topological insulators with many holes (or pores) in the bulk. We show that at high density of these holes the thermoelectric figure of merit ZT can be large due to the…
Thermal conduction in polymer nanocomposites depends on several parameters including the thermal conductivity and geometrical features of the nanoparticles, the particle loading, their degree of dispersion and formation of a percolating…
We have studied metal/organic semiconductor charge injection in poly(3-hexylthiophene) (P3HT) field-effect transistors with Pt and Au electrodes as a function of annealing in vacuum. At low impurity dopant densities, Au/P3HT contact…
Motivated by recent experiments, we present here an ab initio study of the impact of the phonon transport on the thermal conductance and thermoelectric figure of merit of C$_{60}$-based single-molecule junctions. To be precise, we combine…
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…
Recently, there is a series of reports by Wang et al. on the superconductivity in K-doped p-terphenyl (KxC18H14) with the transition temperatures range from 7 to 123 Kelvin. Identifying the structural and bonding character is the key to…
In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…
The effect of K and K-Na substitution for Pb atoms in the rock salt lattice of PbTe was investigated to test a hypothesis for development of resonant states in the valence band that may enhance the thermoelectric power. We combined high…
In the last two decades there have been tremendous attempts to built an adequate theory of high-temperature superconductivity. Most studies (including our efforts) used some model Hamiltonians with input parameters not directly related to…
Using Density functional theory (DFT) in conjunction with a solvation model we have investigated the phenomenon of eletrode-electrolyte interaction at the electrode surface and its consequences on the electrochemical properties like the…
The structure and dielectric properties of 6% $\rm{Sr}^{2+}$-substituted, modified Lead Zirconium Titanate (PZT) piezoelectric ceramic, with composition…
We study the thermoelectric coefficients of a multi-level quantum dot (QD) weakly coupled to two electron reservoirs in the Coulomb blockade regime. Detailed calculations and analytical expressions of the power factor and the figure of…