We are in the process of moving this portal to the new MPContribs Explorer on our next-gen website. It will stay available and functional until the new explorer is feature-complete. Both sites are interfaces to the same data and can be used interchangably.
RedoxThermoCSP CCA4
J. Vieten et al.
Redox Materials Thermochemistry Data for Application in Concentrated Solar Power. More »
Other Info
ExperimentalDataRetrieved via van't Hoff method from equilibrium thermogravimetric data. ΔH(Δδ) and ΔS(Δδ) determined (temperature dependence not considered), with Δδ = δ - δ₀; δ₀: δ at T = 400 °C, p|O₂ = 0.18 bar; δ₀: determined from entropy fit. Inaccurate values for δ₀ lead to a shift of the absolute δ values for some materials. This does not affect the accuracy of the relative oxygen release/uptake values. Experimental data may be highly inaccurate for extrapolated values (indicated by dashed lines).
TheoreticalDataΔH(δ, T) calculated from DFT values for the reduction enthalpies from perovskite to brownmillerite, ΔS(δ, T) calculated as a sum of configurational and vibrational entropy and the partial molar entropy of oxygen. Vibrational entropy calculated from elastic tensors (from DFT, The Materials Project). If no elastic tensors are available, the data for SrFeO(3-δ) is used as an approximation.