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The conductivity and Seebeck coefficient of CaMnO3–δ have been studied at temperatures up to 1000 °C and in atmospheres with controlled oxygen partial pressure. Both transport coefficients were varied in situ by the reversible formation of oxygen vacancies up to δ=0.15. The charge carrier concentration was calculated using a defect chemical model. The Seebeck coefficient could be approximated by Heikes' formula, while the conductivity shows a maximum at a molar charge carrier concentration of 0.25. These results were interpreted as a signature of strong electronic correlation effects, and it was concluded that charge transport in CaMnO3–δ occurs via strongly interacting small polarons. General prospects for strongly correlated materials as potential candidates for high temperature thermoelectric power generation were discussed. [ABSTRACT FROM AUTHOR]

Density-functional-theory (DFT) calculations within the generalised gradient approximation (GGA) were used to examine the behaviour of point defects in the cubic BVIO3 perovskite-type oxide, ReO3. Energies of reduction and of hydration were calculated, and the results are compared with literature data for ABO3 perovskite oxides. The activation energies of migration were determined for O2−, H+, Li+, Na+, K+ and H3O+. An occupied A site in ReO3 is found to be beneficial to oxide-ion migration by a vacancy mechanism as well as to proton migration by a Grotthuss mechanism. Na+, K+ and H3O+ exhibit activation energies of migration higher than 2 eV, whereas Li+ is characterised by a very low migration barrier of 0.1 eV. Reasons for this behaviour are discussed. Our results suggest that H+, O2−, and especially Li+, are highly mobile ions in ReO3. [ABSTRACT FROM AUTHOR]

Thermoelectric materials are believed to play a fundamental role in the energy field over the next years thanks to their ability of directly converting heat into usable electric energy. To increase their integration in the commercial markets, improvements of the efficiencies are needed. At the same time, cheap and non-toxic materials are required along with easily upscalable production cycles. Compounds of the tetragonal tungsten bronze (TTB) series Nb8−xW9+xO47 fulfill all these requirements and are promising materials. Their adaptive structure ensures glass-like values of the thermal conductivity, and the substitution on the cation side allows a controlled manipulation of the electronic properties. In this contribution we report the stability study of the two highly substituted samples of the series, Nb5W12O47 (x = 3) and Nb4W13O47 (x = 4), when subjected to thermal cycling. Moreover, we show the results of the thermoelectric characterization of these samples. The two compounds have not been affected by the thermal treatment and showed an improvement of the thermoelectric performances up to a zT = 0.2 above 1000 K. [ABSTRACT FROM AUTHOR]