Intrinsic defect process and O migration in PrBa(Co/Fe)2O5.5

Abstract
New mixed ion-electron conductors ar desired to lower the operating temperature of solid oxide fuel cells. The O Frenkel energy and migration of O ions in rBa(Co/Fe)2O5.5 are studied for this purpose by density functional theory. We demonstrate that Fe substitution strongly affects the formation of defects and consequently the O migration.

Conference/Event Name
Winter Enrichment Program 2017 - Poster Competition

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