Improving the Thermoelectric Properties of the Material and Increasing the Efficiency of Conversion Processes

The area of practical application of thermoelectric materials depends on the value of the thermoelectric figure of merit. The use of semiconductor materials makes it possible to realize the conditions under which the ratio of their parameters ensures the achievement of high values of thermoelectric figure of merit. The achievement of the maximum thermoelectric figure of merit causes an increase in the efficiency of conversion processes due to the improvement of the thermoelectric properties of the material. The position of the maximum value of the thermoelectric figure of merit is predetermined by the scattering parameters and the ratio of the mobilities and effective masses of charge carriers. The nature of the change in electrical conductivity is determined by the behavior of the concentration of charge carriers. Thermal conductivity, like electrical conductivity, is proportional to the concentration of electrons and the mean free path. An increase in thermoelectric efficiency is achieved by optimizing thermoelectric parameters by doping and improving the properties of com¬pounds, which leads to an optimization of the concentration of charge carriers, a change in the density of states, and a decrease in the phonon component of thermal conductivity. The improvement of the thermoelectric properties of the material and the increase in the efficiency of the conversion processes are provided at a certain concentration of charge carriers, which corresponds to the optimal value.

Фононная теплопроводность и фазовые равновесия в наночастицах системы Bi-Sb фрактальной формы

The thermal conductivity component associated with lattice vibrations is one of the quantities determining the thermoelectric activity of a material. We have simulated the dependences of phase composition and the phonon component of the thermal conductivity associated with it on the shape of nanoparticles of a Bi–Sb alloy with an equiatomic composition and with core–shell configuration. The shape of a particle is simulated by a coefficient corresponding to the extent of deviation of the particle shape from spherical or by its fractal dimension. It is shown that mutual solubilities of components depend on the nanoparticle shape and on the mutual arrangement of coexisting phases, and the thermodynamic equilibrium position for particles with complex morphology corresponds to the homogeneous state. Homogenization of a nanoparticle reduces the phonon component of its thermal conductivity by 70–80%.

The interpretation of polycrystalline coherent inelastic neutron scattering from aluminium

A new approach to the interpretation and analysis of coherent inelastic neutron scattering from polycrystals (poly-CINS) is presented. This article describes a simulation of the one-phonon coherent inelastic scattering from a lattice model of an arbitrary crystal system. The one-phonon component is characterized by sharp features, determined, for example, by boundaries of the (Q, ω) regions where one-phonon scattering is allowed. These features may be identified with the same features apparent in the measured total coherent inelastic cross section, the other components of which (multiphonon or multiple scattering) show no sharp features. The parameters of the model can then be relaxed to improve the fit between model and experiment. This method is of particular interest where no single crystals are available. To test the approach, the poly-CINS has been measured for polycrystalline aluminium using the MARI spectrometer (ISIS), because both lattice dynamical models and measured dispersion curves are available for this material. The models used include a simple Lennard-Jones model fitted to the elastic constants of this material plus a number of embedded atom method force fields. The agreement obtained suggests that the method demonstrated should be effective in developing models for other materials where single-crystal dispersion curves are not available.

Effect of Vacancies on the Thermoelectric Properties of Mg2Si Containing Sb and Bi Substitution

Mg2Si1-xRx (R-Sb,Bi) compositions with x=0.025, 0.05 for Sb and x=0.01,0.025, 0.05 for Bi were synthesized by induction melting of the constituent elements followed by compaction by hot pressing. Phase identification by x-ray diffraction (XRD) indicate a biphasic nature for Bi substituted compositions for x≥.025 while solid solubility for the different Sb substitutions. Abundance distribution plots of the Seebeck (S) coefficient show asymmetry in the Sb compositions and is not observed in the Bi substituted samples. This indicates presence of vacancies only in the Sb substituted compositions. Electrical conductivity (σ), Seebeck coefficient (S) and thermal conductivity (κ) values were measured from 300K to 773 K. The observed trends in the absolute values of α and S can be explained based on doping/second phase influence in Bi substitutions and due to effect of vacancies for Sb substitutions. The (κL) (phonon component) values show a significant decrease for the Sb substitutions due to the presence of vacancies. Calculation of the thermoelectric figure of merit (ZT) show a ZTmax of 0.56 for x=0.025 Bi composition compared to a ZTmax of ∼ 0.05 for Mg2Si.

Estimation of Back Stress Produced by Dislocation Interaction in Icosahedral Al-Pd-Mn

We attempted to calculate the breakaway stress σb of dislocation from attractive junction made by reaction of dislocations. Assuming that the force f acting on the unit length of dislocation with the Burgers vector B under a shear stress τa is f τ∣b˝∣ where b˝ is the phonon component of B, and that the elastic energy per unit length of dislocation W is approximated by W = G(∣b˝∣2 + c2 ∣b˔∣2) where G is the shear modulus, b˔ the phason component of B and c2 a coefficient of about 3.1 × 10−3. Using the values G = 48.4 GPa at 1070 K, the Taylor factor M = 3 and the measured dislocation density of 1.8 × 1013 m−2, we calculated σb for 21 possible dislocation reactions. Picking up the most possible dislocation reactions, σb distributed between 50 and 80 MPa, and the average of them was 64 MPa. This result strongly suggested the possibility that the main part of the internal stress of the high-temperature deformation of icosahedral Al-Pd-Mn is explained by σb.

Electrodeposition of Bi2Te3 Nanowire Composites

ABSTRACTWidespread applications of thermoelectric materials are limited due to low efficiency. Currently, the most widely used thermoelectric devices consist of alloys based on Bi2Te3. In such devices, the thermoelectric figure-of-merit (ZT) of bulk Bi2Te3 has been increased through doping. It is postulated that further enhancements in ZT may be attained by engineering the microstructure of the material to enhance carrier mobility while suppressing the phonon component of the thermal conductivity. This may be achieved by fabricating Bi2Te3 in the form of one-dimensional (1D) nanowires. We have deposited nanowires of Bi2Te3 with two different diameters (200 nm and 40 nm) by electrodeposition into porous anodic alumina. Characterization of the Bi2Te3/porous Al2O3 composite materials has been accomplished using X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Energy dispersive X-ray spectroscopy (EDS) has been used to determine the stoichiometry of the wires.

Physical Properties Of Single-Phase Skutterudite Thin-Films (CoSb3 and IrSb3)

Bulk skutterudite phases based on the CoAs3 structure have yielded compositions with a high thermoelectric figure-of-merit (“ZT”) through the use of doping and substitutional alloying. It is postulated that further enhancements in ZT may be attained in artificially structured skutterudites by engineering the microstructure to enhance carrier mobility while suppressing the phonon component of the thermal conductivity. In this work the growth and properties of singlephase CoSb3 and IrSb3 skutterudite thin films are reported. The films are synthesized by pulsed laser deposition (PLD) where the crystallinity can be controlled by the deposition temperature. Powder X-ray diffraction (PXRD), Transmission electron microscopy (TEM) and Rutherford- Back Scattering (RBS) were used to probe phase, structure, morphology and stoichiometry of the films as functions of growth parameters and substrate type. A substrate temperature of 250°C was found to be optimal for the deposition of the skutterudites from stoichiometric targets. Above this temperature the film is depleted of antimony due to its high vapor pressure eventually reaching a composition where the skutterudite structure is no longer stable. However, when films are grown from antimony-rich targets the substrate temperature can be increased to at least 350°C while maintaining the skutterudite phase. In addition, adhesion properties of the films are explored in terms of the growth mode and substrate interaction. Finally, preliminary room temperature electrical and thermal measurements are reported.

In Situ Synthesis of Single-Phase Skutterudite Thin Films (CoSb3 and IrSb3) by Pulsed Laser Deposition

Recent advances in doping and substitutional alloying of bulk skutterudite phases based on the CoAs3 structure have yielded compositions with high thermoelectric figures-of-merit (“ZT”). It is postulated that further enhancements in ZT may be attained in artificially-structured skutterudites by engineering the microstructure to enhance carrier mobility while suppressing the phonon component of the thermal conductivity. This work describes the growth of single-phase skutterudite thin films (CoSb3 and IrSb3) by pulsed laser deposition. A substrate temperature of 250°C has been found to be optimal for the deposition of the skutterudites from stoichiometric targets. Above this temperature, the film is depleted of antimony due to its high vapor pressure. However, when films are grown from antimony-rich targets, the substrate temperature can be increased to at least 350°C without losing the skutterudite phase. Films from both target types were characterized with X-ray diffraction and Rutherford-Back-Scattering (RBS) to reveal structure and stoichiometry. Some preliminary electrical measurements will also be shown.