<P>We explored oxygen-ion transport in highly doped CeO2 through density-functional theory calculations. By applying biaxial strain to 18.75 mol % Ceo(2):Gd, we predicted the average migration-barrier energy with six different pathways, with res...
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https://www.riss.kr/link?id=A107475524
2017
-
SCOPUS,SCIE
학술저널
42415-42419(5쪽)
0
상세조회0
다운로드다국어 초록 (Multilingual Abstract)
<P>We explored oxygen-ion transport in highly doped CeO2 through density-functional theory calculations. By applying biaxial strain to 18.75 mol % Ceo(2):Gd, we predicted the average migration-barrier energy with six different pathways, with res...
<P>We explored oxygen-ion transport in highly doped CeO2 through density-functional theory calculations. By applying biaxial strain to 18.75 mol % Ceo(2):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 codoliants, 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.</P>
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