Strain-induced tailoring of oxygen-ion transport in highly doped CeO2 electrolyte: Effect of biaxial extrinsic and local lattice strain

Title
Strain-induced tailoring of oxygen-ion transport in highly doped CeO2 electrolyte: Effect of biaxial extrinsic and local lattice strain
Authors
김병국이종호김형철손지원윤경중최성준안준성장호원
Keywords
oxygen-ion transport; strain effects; solid-state ionics; doped CeO2; SOFC
Issue Date
2017-12
Publisher
ACS Applied Materials & Interfaces
Citation
VOL 9, NO 49-42419
Abstract
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.
URI
http://pubs.kist.re.kr/handle/201004/67133
ISSN
1944-8244
Appears in Collections:
KIST Publication > Article
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