کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1297567 973866 2011 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites
موضوعات مرتبط
مهندسی و علوم پایه شیمی الکتروشیمی
پیش نمایش صفحه اول مقاله
First principles calculations of oxygen vacancy formation and migration in mixed conducting Ba0.5Sr0.5Co1−yFeyO3−δ perovskites
چکیده انگلیسی

First-principles supercell calculations of oxygen vacancies in the Ba0.5Sr0.5Co1−yFeyO3−δ (BSCF) perovskites are presented. The density of states is determined for different iron content and oxygen vacancy concentrations, and the characteristic differences for Co and Fe are discussed. We analyze the dependences of the defect (oxygen vacancy) formation and migration energies on the Fe content and compare the calculated properties with those of related LaCoO3 and LaFeO3 perovskites.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Ionics - Volume 188, Issue 1, 22 April 2011, Pages 1–5
نویسندگان
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