A high-fidelity two-dimensional axial symmetrical multi-physics model is established to analyze and predict the performance of a recently discovered solid oxide metal-air redox battery (SOMARB). In particular for this study, the effects of the parameters used in the charge cycle including current density, depth-of-discharge and kinetic rate of Fe3O4-reduction on the performance have been systematically investigated. Three strategies are subsequently developed with goal of achieving a balanced specific energy and cycle efficiency for the best performance of SOMARB.

Silicon-germanium (SiGe) superlattices (SLs) have been proposed for application as efficient thermoelectrics because of their low thermal conductivity, below that of bulk SiGe alloys. However, the cost of growing SLs is prohibitive, so nanocomposites, made by a ball-milling and sintering, have been proposed as a cost-effective replacement with similar properties. Lattice thermal conductivity in SiGe SLs is reduced by scattering from the rough interfaces between layers. Therefore, it is expected that interface properties, such as roughness, orientation, and composition, will play a significant role in thermal transport in nanocomposites and offer many additional degrees of freedom to control the thermal conductivity in nanocomposites by tailoring grain size, shape, and crystal angle distributions. We previously demonstrated the sensitivity of the lattice thermal conductivity in SLs to the interface properties, based on solving the phonon Boltzmann transport equation under the relaxation time approximation. Here we adapt the model to a broad range of SiGe nanocomposites. We model nanocomposite structures using a Voronoi tessellation to mimic the grains and their distribution in the nanocomposite and show excellent agreement with experimentally observed structures, while for nanowires we use the Monte Carlo method to solve the phonon Boltzmann equation. In order to accurately treat phonon scattering from a series of atomically rough interfaces between the grains in the nanocomposite and at the boundaries of nanowires, we employ a momentum-dependent specularity parameter. Our results show thermal transport in SiGe nanocomposites and nanowires is reduced significantly below their bulk alloy counterparts.

Nafion α-relaxation has been the subject of intense investigations as it regulates the performance of electric actuators and polymer electrolyte fuel cells (PEMFC). Dielectric spectroscopy and atomic force microscopy (AFM) measurements of Nafion membranes allowed identifying the conformation transition of the polymeric aggregates as the process underlying the α-transition. The dielectric permittivity curves of Nafion showed that for temperatures T > 120 °C, the α-relaxation displaces to lower frequencies. Such unusual behavior was attributed to an elongation of Nafion polymeric aggregates occurring at T ∼ 120 °C and is in agreement with both water uptake measurements and morphological changes inferred from AFM analyses.

We study the electronic transport through epitaxial GaAs nanopillars that are only 16 nm long, with diameters of about 100 nm at the upper and 40 nm at the lower end. The pillars can be considered to be very short conical nanowires embedded in AlGaAs. They represent quantum point contacts between two perfectly lattice matched three-dimensional GaAs charge reservoirs. Distinctive asymmetries are found in the current-voltage characteristics. We associate them with the conical shape of the pillars. Although contact reservoirs and pillars are made from the same material, the transport through the pillars is dominated by tunneling across shallow barriers. This is explained by the quantum size effect on the electronic states within the pillars.

A comparison between reported analytical results with experimental data of the magnetic flux density on cylindrical tin inclusions of elliptical cross-section embedded in a copper matrix under external thermal excitation is presented. By changing the aspect ratios b/a designated by e of the elliptical inclusions, a wide range of real situation such as slender inclusions can be simulated. The experimental magnetic field distribution illustrated the potential for the non contacting thermoelectric technique to detect and characterize metallic inclusions of different geometries based on their magnetic signature. Preliminary results on a cylindrical hard alpha (TiN) inclusion embedded in Ti–6Al–4V matrix is also presented to demonstrate that the proposed non-destructive method might be applicable to a wide range of alloys including high-strength, high-temperature engine materials.

Graphene oxide (GO) is one of the most attractive inorganic nanofillers in proton exchange membranes (PEMs) for its large specific surface area and high proton conductivity. The proton conductivity of GO nanosheet is known to be orders of magnitude greater than the bulk GO, thus it is essential to improve the dispersion of GO nanosheets in the PEM matrix to achieve higher conductivity. In this study, we report a facile and effective method to fabricate a GO/sulfonated poly ether ether ketone (SPEEK) composite membrane with well-dispersed GO nanosheets in SPEEK matrix by using electrospinning technique for direct methanol fuel cell application. The composite membrane exhibits improved proton conductivity, dimensional stability and methanol barrier property due to the presence of well-dispersed GOs. It is believed that the GO nanosheets can not only induce continuous channels for proton-conducting via Grotthuss mechanism, but also act as methanol barriers to hinder the methanol molecules from passing through the membrane.

Concerning a materials ability to convert heat to electrical energy, the electrical power factor S2/ρ as well as the thermal conductivity at elevated temperatures are of special interest. Since Flash experiments measure the thermal diffusivity and standard steady-state heat-flow experiments are inaccurate at elevated temperatures due to radiation errors inherent to this technique, direct and accurate thermal conductivity data on type-I clathrate single crystals at elevated temperatures are scarce in literature. Here we report 3ω thermal conductivity data on single crystalline Ba8Cu5.09Ge40.91 (BCG), La1.23Ba6.99Au5.91Si39.87, and Ce1.06Ba6.91Au5.56Si40.47 in the temperature range between 80 and 330 K, and specific heat data on BCG between 2 and 300 K. The comparison of our room temperature phonon thermal conductivity data (κph) to results on transition metal (TM) free type-I clathrates in terms of the guest free space (Rfree) suggests a stronger dependence of κph on Rfree for the clathrates containing TM elements.

The CuInSe2 and CuSbSe2 ternary compounds and alloys of the (CuSbSe2)1-x·(CuInSe2)x system with the mole fraction of CuInSe2 (x) equal to 0.05, 0.15, 0.25, 0.375, 0.50, 0.625, 0.75, 0.85, and 0.95 were prepared and the phase relations in this system were investigated by X-ray powder diffraction, optical microscopy, and scanning electron microscopy. It was shown that the alloys of the CuSbSe2-CuInSe2 system are biphasic at room temperature in the whole range of compositions, and the limits of solubility for CuSbSe2 in CuInSe2 and for CuInSe2 in CuSbSe2 do not exceed 0.001 mole fraction.

Composites of 8 mol% yttria-stabilized zirconia (YSZ) and titanium nitride (TiN) were obtained by mechanical mixing of commercial powders. High-density samples of (1-x) YSZ / x TiN, with x = 0, 25, 50, and 75 wt.%, were obtained by spark plasma sintering (SPS) at 1450 °C for 5 min. Surface contamination with carbon from the SPS was eliminated by diamond sawing of parallel surfaces. X-rays diffraction analyses showed that samples are composed by a mixture of the initial phases, without appreciable reaction as inferred from calculated lattice parameters. dc 4-probe electrical measurements in the 100-850°C under showed that samples have a metallic behavior, indicating that the percolation threshold was attained for the sample with the lowest content of the TiN (x=25 wt.%), which corresponds to ∼27 vol.%.

Cerium oxide is an important electrode material in fuel cells. It has been interconverted in the gaseous phase at high temperatures or in the presence of oxygen and more recently in the solid state by applying an electric field. In the dynamic change that occurs, the migration of oxygen vacancies have been initiated at a critical potential of 2.8 V. We wish to report here an electrochemical method where the conversion of cerium oxides is brought out in aqueous medium where hydrogen ion is assisting the process of conversion. Keeping dissolved oxygen level negligible, the conversion of Ce2O3 to CeO2 occurs at 0.72 V vs saturated calomel electrode (SCE) with hydrogen ion assisting the process and the reversible conversion at 0.15 V (SCE). The hydrogen ion assisted conversion is compared with the solid state conversion that operates on oxygen vacancy creation.

The oxidation of CO to CO2 is necessary in the operation of Proton Exchange Membrane Fuel Cells (PEMFCs) since even a small amount of CO that is formed when the PEMFC is operated under ambient conditions is sufficient to poison the Pt catalyst in the electrodes and degrade the performance. Operation using higher loads of Pt catalysts or increasing the purity of the H2 input gas significantly adds to the cost, adversely impacting the commercial development of PEMFCs. We combined graphene oxide (GO) with metallic salts and partially reduced the mixture with sodium borohydride, yielding a metallized form of partially reduced graphene oxide (prGO) platelets that remained in solution. When these platelets were coated on the Nafion membrane of a PEMFC, a 72% increase in the power output was observed, whereas a 62% increase was observed when the membrane was coated with partially reduced graphene oxide without the metallic salts. Results will be presented for AuGO/prGO, PtGO/prGO, and AuPtGO/prGO combinations.

In this study, we fabricated Mg2Si from metal Mg and Si with different particle sizes (425 - 300, 300 - 180, and 75 μm or less) using spark plasma sintering (SPS) equipment. Additionally, the Mg2Si formation was investigated. A sieved Si powder was mixed with metal Mg powder in an inert gas (Ar) atmosphere. The mixture was placed in a graphite die while still in an Ar atmosphere and subjected to SPS at 923 K and 1113 K. The obtained sintering bodies were Mg2Si particles with a size of about 5 μm. Then, the sintered bodies were evaluated by X-ray diffraction (XRD). As a result, it was confirmed that generation of Mg2Si increased with decreasing Si particle size.

LaNi(1-x)FexO3 (LNF) compounds, with 0.0 ≤ x ≤ 0.4, have interesting physical properties such as high ionic and electronic conductivity, good catalytic activity for oxygen reduction, and thermodynamic compatibility with the YSZ electrolyte, which makes them potential candidates for SOFCs (solid oxides fuel cells) cathodes. Order for these excellent properties are achieved, it is necessary to ensure the presence of the homogeneous phase LNF. The methods for preparing these compounds influence the formation and stabilization of the homogeneous phase and therefore the physical properties of these oxides. For this reason, this work deals with the synthesis of the family of compounds LNF and the correlation between the synthesis and the physical properties obtained. In this context, LNF compounds were synthesized by a modified Pechini method for production of powders. Two different synthetic routes were employed, changing the source of nickel: nickel acetate and nickel nitrate. In order to study the thermal evolution of the LNF phase in these compounds, thermal analysis (DTG) and X-ray diffraction (XRD) were performed. The XRD was verified that the series of compounds synthesized by nickel acetate originated monophasic samples different from those obtained with nickel nitrate. We studied the influence of time and sintering temperature on the superficial characteristics of the samples and it was observed the reduction in sintering time allowed obtaining powders of perovskite phase, with grain sizes and smaller clusters than what was observed in the compound -treated for 10 h. To characterize the particle size, the powders were characterized by curves absorption/desorption (BET). The results also show that heat treatment for shorter times resulted in decreased particle size as well as increase the surface area of the compounds.

We present results of modeling and experimental characterization of thermoelectric (TE) materials built on new fabrication principles, involving the coating of three-dimensionally structured quantum well super-lattice substrates with PbTe/PbSe. A new system for wafer-scale electrochemical deposition of such structures was specifically developed and will be described in this paper. Scanning electron microscopy (SEM) was used to measure film thickness and electron diffraction spectroscopy (EDS) was used to determine film material concentration. By adjusting deposition parameters, we were able to build stoichiometric PbSe, PbTe and stacked PbSe/PbTe super-lattice films on planar and pre-structured surfaces. The films were thermoelectrically modelled using COMSOL and then characterized using an infrared Seebeck effect measurement system which measured surface heating of the film while measuring the voltage associated with the temperature gradient. We report advances in the design and fabrication of TE materials which improve cost-effectiveness and TE efficiency.

Based on the Kubo-Greenwood formula, the thermoelectric effects in periodically and quasiperiodically segmented nanowires are studied by means of a real-space renormalization plus convolution method, where the electrical and lattice thermal conductivities are respectively calculated by using the tight-binding and Born models; the latter includes central and non-central interactions between nearest-neighbor atoms. The results show a significant enhancement of the thermoelectric figure-of-merit (ZT) induced by the structural disorder and/or the reduction of nanowire cross-section area. In addition, we observe a maximum ZT in both the chemical-potential and temperature spaces.

The BiCuSeO has been proved to be one of the best oxide-based thermoelectric materials in recent years. Its electric properties have been widely studied, yet the lattice thermal conductivity was only discussed roughly. Our investigation suggests that the anharmonic vibration and the interlayer-interaction plays the crucial role in reducing the intrinsic lattice thermal conductivity. The thermal conductivity has been calculated based on quasi-harmonic approximation and detailed contribution have been discussed. The calculated data have good agreement with the experimental data.

Lead halide perovskites have proven their great power conversion efficiency (PCE) in the last few years and attracted more and more attentions. Evaporation is an important method to get high quality perovskite films, especially for surface and interface investigation, which is important for the solar cell performance. In this paper, we present our investigations on growing PbI2 and CH3NH3I films by evaporation, and then CH3NH3PbI3 films by co-evaporation. X-ray photoemisson spectroscopy (XPS) was used to characterize the films. The results showed that CH3NH3I film was not stable in vacuum. Both N and I decreased in vacuum with time elapsing. PbI2 and CH3NH3PbI3 films are quite stable. The atomic ratio of CH3NH3PbI3 films (C: N: Pb: I =1.29:1.07:1.00:2.94) is very close to the ideal CH3NH3PbI3, which indicates that evaporation is a good method to get high quality perovskite films with accurate atomic ratio.

The perovskite catalysts La0.75Sr0.25Cr0.5X0.5O3±δ (where X= Mn, Fe and Co) were prepared by combustion synthesis and the influence of transition metals B-site substitution on the structural and catalytic properties of the catalysts in steam reforming of both pure and by-product glycerol to produce hydrogen-rich gases for utilization in solid oxide fuel cell was investigated. All the catalyst systems were found very active and selective with the Fe-substituted catalyst slightly more active. Hydrogen yield and coke suppression was better in the Mn-substituted catalyst which was also structurally more stable in fuel environment. Impregnation of Ni into the lattice structure of the pre-reacted both A-site and B-site stoichiometric catalysts from nickel nitrate solution and subsequent redox exsolution of Ni nano particles supported on the oxide surface of the materials has significantly improved the hydrogen yield by enhancing water-gas-shift reaction (WGSR). Thus, extent of the exsolution phenomenon observed in the materials followed the order LSCM > LSCC > LSCF.

Magnesium silicide (Mg2Si) has attracted much interest as an n-type thermoelectric material because it is eco-friendly, non-toxic, light, and relatively abundant compared with other thermoelectric materials. In this study, we tried to improve the thermoelectric performance by doping Sb and Ge in the Mg2Si, as well as further optimizing x in the carrier concentration to cause phonon scattering. A high purity Mg2Si was synthesized from metal Mg and Sb doped Si-Ge alloy by using spark plasma sintering (SPS) equipment. The sintered samples were cut and polished. They were evaluated by using X-ray diffraction (XRD) and X-ray fluorescence (XRF) analyses. The carrier concentration of the samples was measured by using Hall measurement equipment. The electrical conductivity and Seebeck coefficient were measured by using a standard four-probe method in a He atmosphere. The thermal conductivity was measured by using a laser-flash system. We succeeded in obtaining a Sb doped Mg2Si0.95Ge0.05 sintered body easily without any impurities with the SPS equipment. The electrical conductivity of the sample was increased, and thermal conductivity was decreased by increasing the amount of doped Sb. The dimensionless figure of merit ZT became 0.74 at 733 K in the Mg2Si0.95-xGe0.05Sbx sample with x = 0.0022.

In this work, we investigate the influence of the core-shell architecture on nanowire (1D) thermal conductivity targeting to evaluate its validity as a strategy to achieve a better thermoelectric performance. To obtain the thermal conductivity values, equilibrium molecular dynamic simulations is applied to Si and Ge systems that are chosen to form core-shell nanostructures. To explore the parameter space, we have calculated thermal conductivity values of the Si-core/Ge-shell and Ge-core/Si-shell nanowires at different temperatures for different cross-sectional sizes and different core contents. Our results indicate that (1) increasing the cross-sectional area of pristine Si and pristine Ge nanowire increases the thermal conductivity (2) increasing the Ge core size in the Si-core/Ge-shell structure results in a decrease in the thermal conductivity values at 300 K (3) thermal conductivity of the Si-core/Ge-shell nanowires demonstrates a minima at specific core size (4) no significant variation in the thermal conductivity observed in nanowires for temperature values larger than 300 K (5) the predicted thermal conductivity around 10 W m−1K−1 for the Si and Ge core-shell architecture is still high to get desired ZT values for thermoelectric applications. On the other hand, significant decrease in thermal conductivity with respect to bulk thermal conductivity of materials and pristine nanowires proves that employing core–shell architectures for other possible thermoelectric material candidates would serve valuable opportunities to achieve a better thermoelectric performance.