Effect of Oxygen Partial Pressure on the Phase Stability of Copper–Iron Delafossites at Elevated Temperatures

Oxide-based materials are promising candidates for use in high temperature thermoelectric generators. While their thermoelectric performance is inferior to commonly used thermoelectrics, oxides are environmentally friendly and cost-effective. In this study, Cu-based delafossites (CuFeO2), a material class with promising thermoelectric properties at high temperatures, were investigated. This work focuses on the phase stability of CuFeO2 with respect to the temperature and the oxygen partial pressure. For this reason, classical material characterization methods, such as scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction, were combined in order to elucidate the phase composition of delafossites at 900 °C at various oxygen partial pressures. The experimentally obtained results are supported by the theoretical calculation of the Ellingham diagram of the copper–oxygen system. In addition, hot-stage X-ray diffraction and long-term annealing tests of CuFeO2 were performed in order to obtain a holistic review of the phase stability of delafossites at high temperatures and varying oxygen partial pressure. The results support the thermoelectric measurements in previous publications and provide a process window for the use of CuFeO2 in thermoelectric generators