Charge Compensation Mechanism and the Role of Oxygen Vacancies in Ca-doped La2Ni0.75Cu0.25O4+/-d Oxygen Transport Membranes
Predicting proper amount and type of dopants and the required materials processing conditions in electroceramic materials is an intriguing and complex challenge, so far based on intensive trial-&-error experimental studies. For semiconductor materials first concepts and tools have evolved. We have recently started the Collaborative Research Center FLAIR in order to develop a similar predictive tool using the concept of Fermi level engineering. The idea behind is that the charge compensation mechanisms activated by the respective doping are all linked to the formation of defined defects in the material. The available compensation mechanisms are electronic, ionic, and mixed electronic-ionic charge compensation (important for oxygen transport membrane (OTM) materials), valence changes, and phase segregation. The presence of defects affects the electronic band structure and the Fermi energy. Hence, a Fermi energy-based model aligns all defects/charge compensation mechanisms on a common energy scale, which eventually allows for a predictive selection of dopants, when understanding these interrelationships. Neutrons are needed to track the oxygen content and distribution during T change.
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WIDENMEYER Marc; BIANCONI Federico; EMMERICH Ann-Katrin; Thomas C. Hansen; RASHID Aasir; SCAVINI Marco and TRAPLETTI Andrea. (2023). Charge Compensation Mechanism and the Role of Oxygen Vacancies in Ca-doped La2Ni0.75Cu0.25O4+/-d Oxygen Transport Membranes. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-25-288
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