Strain Effects on Defect Chemistry in Epitaxial Perovskite Thin Films for Solid Oxide Fuel Cells

Autor:	Yueh-Lin Lee, Milind Gadre, Narasimhan Swaminathan, Dane Morgan
Rok vydání:	2011
Předmět:	chemistry.chemical_compound Materials science chemistry Strain (chemistry) Chemical engineering Inorganic chemistry Oxide Fuel cells Thin film Epitaxy Perovskite (structure)
Zdroj:	ECS Transactions. 35:2113-2118
ISSN:	1938-6737 1938-5862
DOI:	10.1149/1.3570202
Popis:	The efficiency of Solid Oxide Fuel Cells depends strongly on the oxygen reduction reaction (ORR) rate on the cathode. Recent studies have suggested that large enhancements in defect thermokinetics and catalytic rates may be possible through use of epitaxially strained materials. Using ab-initio methods to simulate defect energetics under epitaxial strain, we quantify the effects of strain on oxygen stoichiometry in La{1-x}Sr{x}CoO{3-δ} (x=0.125) thin-films. We find at most a 2-3 fold increase in the vacancy concentration (at near 1000K) compared to bulk LSC over the range of strains from -2% (compressive) to about 4% (tensile). The results of this study suggest that epitaxial strain alone has a relatively weak effect of LSC oxygen vacancy concentration under SOFC conditions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc02669d09819579d6e35ae2b7543de0 https://doi.org/10.1149/1.3570202 Zobrazit plný text záznamu