کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9783065 1511868 2005 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio investigation of the Jahn-Teller distortion effect on the stabilizing lithium intercalated compounds
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Ab initio investigation of the Jahn-Teller distortion effect on the stabilizing lithium intercalated compounds
چکیده انگلیسی
This paper reports on a fundamental study of the Jahn-Teller distortion effect after lithium intercalation in transition metal oxides, using the density functional theory in the local spin density approximation. The intercalation of lithium in cobalt oxide was found to form a stable compound with an α-NaFeO2 crystal structure. An unstable structure was found to form for the nickel oxide compound. An important Jahn-Teller distortion was observed in MnO2 and LiMnO2, and the structure was found to be unstable. These theoretical results are in agreement with the experimental findings in the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Chemistry and Physics - Volume 92, Issues 2–3, 15 August 2005, Pages 499-504
نویسندگان
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