相关论文: Thermoelectricity in Nanowires: A Generic Model
We study the performance of two different electrode models in quantum transport calculations based on density functional theory: Parametrized Bethe lattices and quasi-one dimensional wires or nanowires. A detailed account of implementation…
Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor.…
In this paper we study the size effects of the ferroelectric nanotube phase diagrams and polar properties allowing for effective surface tension and depolarization field influence. The approximate analytical expression for the…
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…
We investigate thermopower and thermoelectric coefficient of nano-granular materials at large tunneling conductance between the grains, g_{T} >> 1. We show that at intermediate temperatures, T >= g_{T}\delta, where \delta is the mean energy…
We study the resistivity scaling in nanometer-sized metallic wires due to surface roughness and grain-boundaries, currently the main cause of electron scattering in nanoscaled interconnects. The resistivity has been obtained with the…
Dimensionless thermoelectric figure of merit $ZT$ is investigated for two-dimensional organic conductors $\tau-(EDO-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$, $\tau$-(EDT-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$ and $\tau$-(P-S,S-DMEDT-TTF)_2(AuI_2)_{1+y}$ ($y…
We evaluate theoretically the thermoelectric efficiency of the layered perovskite Sr$_2$Nb$_2$O$_7$ via calculations of the electronic structure and transport coefficients within density-functional theory and Bloch-Boltzmann relaxation-time…
We study transport properties of weakly interacting one-dimensional electron systems including on an equal footing thermal equilibration due to three-particle collisions and the effects of large-scale inhomogeneities. We show that…
Low-dimensional layered materials have attracted tremendous attentions due to their wide range of physical and chemical properties and potential applications in electronic devices. Using first-principles method taking into account the…
The thermoelectric properties of cubic zincblend silicon carbide nanowires (SiCNWs) with nitrogen impurities and vacancies along [111] direction are theoretically studied by means of atomistic simulations. It is found that the…
Quantum dots (QDs) are good model systems for fundamental studies of mesoscopic transport phenomena using thermoelectric effects because of their small size, electrostatically tunable properties and thermoelectric response characteristics…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
The theory of heat transfer by electromagnetic radiation is based on the radiative transfer equation (RTE) for the radiation intensity, or equivalently on the Boltzmann transport equation (BTE) for the photon distribution. We focus in this…
Silicon carbide nanoparticles with diameters around 8 nm and with narrow size distribution have been finely mixed with doped silicon nanopowders and sintered into bulk samples to investigate the influence of nanoinclusions on electrical and…
We propose a mechanism for nanoscale energy conversion, an electric voltage induced by a temperature gradient in a junction composed of the same material having exactly the same geometric sizes, but distinct shapes. The proposed effect…
We report results of theoretical studies of thermoelectric efficiency of single-molecule junctions with long molecular linkers. The linker is simulated by a chain of identical sites described using a tight-binding model. It is shown that…
Designing thermoelectric materials with high figure of merit $ZT=S^2 G T/\kappa$ requires fulfilling three often irreconcilable conditions, i.e., the high electrical conductance $G$, small thermal conductance $\kappa$ and high Seebeck…
We construct a scattering theory of weakly nonlinear thermoelectric transport through sub-micron scale conductors. The theory incorporates the leading nonlinear contributions in temperature and voltage biases to the charge and heat…
We calculate the charge and heat current associate with electrons, generated by a temperature gradient and chemical potential difference between two ends of a tubular nanowire of 30 nm radius in the presence of an external magnetic field…