کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1477620 991189 2005 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Atomistic simulations of oxide ion diffusion in heavily doped lanthanum cobaltite
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Atomistic simulations of oxide ion diffusion in heavily doped lanthanum cobaltite
چکیده انگلیسی

Molecular dynamics simulations of perovskite-structured LaCoO3 doped with alkaline earth and transition metal elements have been performed to provide a theoretical assessment of the relationship between oxide ion conductivity and composition in this system. Conductivities for compositions La1−xSrxCo1−yFeyO3−δ (0.8 < x < 0.9, 0 < y < 1.0) at 1500 °C are reported. Several compositions are simulated at other temperatures in order to estimate the activation energies for ionic conductivity. Conductivity is found to increase with increasing strontium content, but exhibits a minimum for iron contents of 50% irrespective of the strontium content. Although substitution of Co2+ ions for Co3+ ions increases the volume fraction of oxide ion vacancies, the ionic conductivity decreases as a result of strong interactions between the lower valency dopants and vacancies.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of the European Ceramic Society - Volume 25, Issue 13, August 2005, Pages 3243–3248
نویسندگان
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