Intrinsic dielectric and spectroscopic behavior of perovskite Ba(Ni1/3Nb2/3)O3–Ba(Zn1/3Nb2/3)O3 microwave dielectric ceramics

[[abstract]]Ceramics of 0.35Ba(Ni1/3Nb2/3)O3–0.65Ba(Zn1/3Nb2/3)O3 were prepared by the mixed oxide route. The effect of the cooling rate (2 °C–240 °C/h) after sintering on the microwave dielectric properties of the ceramics was examined. While the extrinsic factors, such as porosity and secondary phases, markedly influence the dielectric properties in the low-frequency regime, they have minimal effect on these properties in the high-frequency regime. The mechanisms involved in modifying the high-frequency dielectric properties of the materials were investigated by Fourier transform infrared and Raman spectroscopy, in conjunction with the Rietveld analysis of x-ray diffraction (XRD) spectra. A reduction in the cooling rate after sintering results in an increase in the high-frequency Q×f (product of dielectric Q value and measurement frequency) from 42 to 58 THz in the high-frequency regime (∼1.5 THz). Such behavior correlates very well with the increase in the B-site occupancy by Nb (deduced from the Rietveld analyses of XRD spectra) and the increase in the coherency of the lattice vibration (deduced from the reduction in the full-width-at-half-maximum of the A1g(O) Raman mode). In contrast, the cooling rate after sintering has very limited effect on the relative permittivity (varying from 40.8 to 41.9 at 1.5 THz), which is in accord with the phenomenon that the cell volume and the Raman shift of A1g(O) Raman mode are essentially independent of the cooling rate.[[booktype]]紙

Prospects for Engineering Thermoelectric Properties in La _1/3NbO ₃ Ceramics Revealed via Atomic-Level Characterization and Modeling

A combination of experimental and computational techniques has been employed to explore the crystal structure and thermoelectric properties of A-site-deficient perovskite La 1/3NbO 3 ceramics. Crystallographic data from X-ray and electron diffraction confirmed that the room temperature structure is orthorhombic with Cmmm as a space group. Atomically resolved imaging and analysis showed that there are two distinct A sites: one is occupied with La and vacancies, and the second site is fully unoccupied. The diffuse superstructure reflections observed through diffraction techniques are shown to originate from La vacancy ordering. La 1/3NbO 3 ceramics sintered in air showed promising high-temperature thermoelectric properties with a high Seebeck coefficient of S 1 = -650 to -700 μV/K and a low and temperature-stable thermal conductivity of k = 2-2.2 W/m·K in the temperature range of 300-1000 K. First-principles electronic structure calculations are used to link the temperature dependence of the Seebeck coefficient measured experimentally to the evolution of the density of states with temperature and indicate possible avenues for further optimization through electron doping and control of the A-site occupancies. Moreover, lattice thermal conductivity calculations give insights into the dependence of the thermal conductivity on specific crystallographic directions of the material, which could be exploited via nanostructuring to create high-efficiency compound thermoelectrics. </p

Enhancement of Electrical Conduction and Phonon Scattering in Ga2O3(ZnO)9-In2O3(ZnO)9 Compounds by Modification of Interfaces at the Nanoscale

The Ga2O3(ZnO)9 and In2O3(ZnO)9 homologous phases have attracted attention as thermoelectric (TE) oxides due to their layered structures. Ga2O3(ZnO)9 exhibits low thermal conductivity, while In2O3(ZnO)9 possesses higher electrical conductivity. The TE properties of the solid solution of Ga2O3(ZnO)9-In2O3(ZnO)9 were explored and correlated with changes in the crystal structure. High-quality (1−x)Ga2O3(ZnO)9-(ZnO)9 (x = 0.0 to 1.0) ceramics were prepared by the solid-state route using B2O3 and Nd2O3 as additives. The crystal structures were analysed by x-ray diffraction, high-resolution transmission electron microscopy and atomic resolution scanning transmission electron microscopy–high-angle annular dark field imaging–energy dispersive x-ray spectroscopy (STEM–HAADF–EDS) techniques. A layered superstructure with compositional modulations was observed in all samples in the (1−x)Ga2O3(ZnO)9-xIn2O3(ZnO)9 system. All the ceramics exhibited nanoscale structural features identified as Ga- and In-rich inversion boundaries (IBs). Substitution of 20 mol.% In (x = 0.2) in the Ga2O3(ZnO)9 compounds generated basal and pyramidal indium IBs typically found in the In2O3(ZnO)m system. The (Ga0.8In0.2)2O3(ZnO)9 compound does not exhibit the structural features of the Cmcm Ga2O3(ZnO)9 compound, which is formed by a stacking of Ga-rich IBs along the pyramidal plane of the wurtzite ZnO, but features that resemble the crystal structure exhibited by the R3¯¯¯m In2O3(ZnO)m with basal and pyramidal indium IBs. The structural changes led to improved TE performance. For example, (Ga0.8In0.2)2O3(ZnO)9 showed a low thermal conductivity of 2 W/m K and a high power factor of 150 μW/m K2 giving a figure of merit (ZT) of 0.07 at 900 K. This is the highest ZT for Ga2O3(ZnO)9-based homologous compounds and is comparable with the highest ZT reported for In2O3(ZnO)9 homologous compounds

Tungsten Bronze Barium Neodymium Titanate (Ba 6–3 Nd 8+2 Ti 18 O 54 ): An Intrinsic Nanostructured Material and Its Defect Distribution

We investigated the structure of the tungsten bronze barium neodymium titanates Ba6–3nNd8+2nTi18O54, which are exploited as microwave dielectric ceramics. They form a complex nanostructure, which resembles a nanofilm with stacking layers of ∼12 Å thickness. The synthesized samples of Ba6–3nNd8+2nTi18O54 (n = 0, 0.3, 0.4, 0.5) are characterized by pentagonal and tetragonal columns, where the A cations are distributed in three symmetrically inequivalent sites. Synchrotron X-ray diffraction and electron energy loss spectroscopy allowed for quantitative analysis of the site occupancy, which determines the defect distribution. This is corroborated by density functional theory calculations. Pentagonal columns are dominated by Ba, and tetragonal columns are dominated by Nd, although specific Nd sites exhibit significant concentrations of Ba. The data indicated significant elongation of the Ba columns in the pentagonal positions and of the Nd columns in tetragonal positions involving a zigzag arrangement of atoms along the b lattice direction. We found that the preferred Ba substitution occurs at Nd[3]/[4] followed by Nd[2] and Nd[1]/[5] sites, which is significantly different to that proposed in earlier studies. Our results on the Ba6–3nNd8+2nTi18O54 “perovskite” superstructure and its defect distribution are particularly valuable in those applications where the optimization of material properties of oxides is imperative; these include not only microwave ceramics but also thermoelectric materials, where the nanostructure and the distribution of the dopants will reduce the thermal conductivity

Multiphysics simulations of thermoelectric generator modules with cold and hot blocks and effects of some factors

This is the final version of the article. Available from Elsevier via the DOI in this record.Transient and steady-state multiphysics numerical simulations are performed to investigate the thermal and electrical performances of a thermoelectric generator (TEG) module placed between hot and cold blocks. Effects of heat radiation, leg length and Seebeck coefficient on the TEG thermal and electrical performances are identified. A new correlation for the Seebeck coefficient with temperature is proposed. Radiation effects on the thermal and electric performances are found to be negligible under both transient and steady-state conditions. The leg length of the TEG module shows a considerable influence on the electrical performance but little on the thermal performance under transient conditions. A nearly linear temperature profile on a leg of the TEG module is identified. The temperature profile of the substrate surfaces is non-uniform, especially in the contacted areas between the straps (tabs) and the substrates.The work is supported by EPSRC SUPERGEN Solar Challenge with grant: EP/K022156/1-Scalable Solar Thermoelectrics and Photovoltaics (SUNTRAP)

A scaling law for monocrystalline PV/T modules with CCPC and comparison with triple junction PV cells

This is the final version of the article. Available from Elsevier via the DOI in this record.Scaling laws serve as a tool to convert the five parameters in a lumped one-diode electrical model of a photovoltaic (PV) cell/module/panel under indoor standard test conditions (STC) into the parameters under any outdoor conditions. By using the transformed parameters, a current-voltage curve can be established under any outdoor conditions to predict the PV cell/module/panel performance. A scaling law is developed for PV modules with and without crossed compound parabolic concentrator (CCPC) based on the experimental current-voltage curves of six flat monocrystalline PV modules collected from literature at variable irradiances and cell temperatures by using nonlinear least squares method. Experiments are performed to validate the model and method on a monocrystalline PV cell at various irradiances and cell temperatures. The proposed scaling law is compared with the existing one, and the former exhibits a much better accuracy when the cell temperature is higher than 40 °C. The scaling law of a triple junction flat PV cell is also compared with that of the monocrystalline cell and the CCPC effects on the scaling law are investigated with the monocrystalline PV cell. It is identified that the CCPCs impose a more significant influence on the scaling law for the monocrystalline PV cell in comparison with the triple junction PV cell. The proposed scaling law is applied to predict the electrical performance of PV/thermal modules with CCPC.The authors gratefully acknowledge the EPSRC Solar Challenge project SUNTRAP (EP/K022156/1) and Sȇr Cymru National Research Network grant 152 for financial support in the UK

A scaling law for monocrystalline PV/T modules with CCPC and comparison with triple junction PV cells

Scaling laws serve as a tool to convert the five parameters in a lumped one-diode electrical model of a photovoltaic (PV) cell/module/panel under indoor standard test conditions (STC) into the parameters under any outdoor conditions. By using the transformed parameters, a current-voltage curve can be established under any outdoor conditions to predict the PV cell/module/panel performance. A scaling law is developed for PV modules with and without crossed compound parabolic concentrator (CCPC) based on the experimental current-voltage curves of six flat monocrystalline PV modules collected from literature at variable irradiances and cell temperatures by using nonlinear least squares method. Experiments are performed to validate the model and method on a monocrystalline PV cell at various irradiances and cell temperatures. The proposed scaling law is compared with the existing one, and the former exhibits a much better accuracy when the cell temperature is higher than 40 °C. The scaling law of a triple junction flat PV cell is also compared with that of the monocrystalline cell and the CCPC effects on the scaling law are investigated with the monocrystalline PV cell. It is identified that the CCPCs impose a more significant influence on the scaling law for the monocrystalline PV cell in comparison with the triple junction PV cell. The proposed scaling law is applied to predict the electrical performance of PV/thermal modules with CCPC

A coupled optical-thermal-electrical model to predict the performance of hybrid PV/T-CCPC roof-top systems

A crossed compound parabolic concentrator (CCPC) is applied into a photovoltaic/thermal (PV/T) hybrid solar collector, i.e. concentrating PV/T (CPV/T) collector, to develop new hybrid roof-top CPV/T systems. However, to optimise the system configuration and operational parameters as well as to predict their performances, a coupled optical, thermal and electrical model is essential. We establish this model by integrating a number of submodels sourced from literature as well as from our recent work on incidence-dependent optical efficiency, six-parameter electrical model and scaling law for outdoor conditions. With the model, electrical performance and cell temperature are predicted on specific days for the roof-top systems installed in Glasgow, Penryn and Jaen. Results obtained by the proposed model reasonably agree with monitored data and it is also clarified that the systems operate under off-optimal operating condition. Long-term electric performance of the CPV/T systems is estimated as well. In addition, effects of transient terms in heat transfer and diffuse solar irradiance on electric energy are identified and discussed