Phase Stability and Oxygen Vacancy Effects in Ceria-Based High-Entropy Oxides
Analysis
Key Takeaways
- •First-principles DFT calculations are used to study phase stability in Ce-based high-entropy oxides.
- •The study focuses on the competition between fluorite and bixbyite phases.
- •Compositional and vacancy-ordering effects are key drivers of phase transitions.
- •Configurational entropy stabilizes fluorite at lower vacancy concentrations and higher cerium content.
- •The research provides a framework for designing vacancy-tolerant oxide electrolytes.
“The transition from disordered fluorite to ordered bixbyite is driven primarily by compositional and vacancy-ordering effects, rather than through changes in cation valence.”