Strain-induced tailoring of oxygen-ion transport in highly doped CeO2 electrolyte: Effect of biaxial extrinsic and local lattice strain
- Strain-induced tailoring of oxygen-ion transport in highly doped CeO2 electrolyte: Effect of biaxial extrinsic and local lattice strain
- 김병국; 이종호; 김형철; 손지원; 윤경중; 최성준; 안준성; 장호원
- oxygen-ion transport; strain effects; solid-state ionics; doped CeO2; SOFC
- Issue Date
- ACS Applied Materials & Interfaces
- VOL 9, NO 49-42419
- We explored oxygen-ion transport in highly doped CeO2 through density-functional theory calculations. By applying biaxial strain to 18.75 mol % CeO2:Gd, we predicted the average migration-barrier energy with six different pathways, with results in good agreement with those of experiments. Additionally, we found that the migration-barrier energy could be lowered by increasing the tetrahedron volume, including the space occupied by the oxygen vacancy. Our results indicate that the tetrahedron volume can be expanded by larger codopants, as well as biaxial tensile strain. Thus, the combination of thin-film structure and codoping could offer a new approach to accelerate oxygen-ion transport.
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