کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7730292 | 1497933 | 2015 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Investigations on average and local structures of Li(Li1/6Mn1/2Ni1/6Co1/6)O2 by the pair distribution function and the density functional theory
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
الکتروشیمی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Investigations on average and local structures of Li(Li1/6Mn1/2Ni1/6Co1/6)O2 by the pair distribution function and the density functional theory Investigations on average and local structures of Li(Li1/6Mn1/2Ni1/6Co1/6)O2 by the pair distribution function and the density functional theory](/preview/png/7730292.png)
چکیده انگلیسی
We synthesize Li(Li1/6Mn1/2Ni1/6Co1/6)O2 with a coprecipitation method, and study the electrochemical properties and the atomic configuration by means of galvanostatic charge-discharge test, neutron total scatterings, and the density functional theory calculation. From the average-structure analysis using the Bragg profile, that is, the Rietveld analysis, it is found that the sample has the Li2MnO3-type layered structure (space group; C2/m) and Ni and Co exist at both the two sites (4g and 2b sites) in the transition-metal layer. The DFT calculation indicates that there is a local atomic ordering denoted as LiMn6 in the transition-metal layer in the same way as Li2MnO3. Moreover, such a local structure can explain a reduced pair distribution function, G(r), derived from neutron total scatterings. Detailed investigation on the G(r) also suggests a local distortion along the c axis perpendicular to the layer.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Power Sources - Volume 299, 20 December 2015, Pages 280-285
Journal: Journal of Power Sources - Volume 299, 20 December 2015, Pages 280-285
نویسندگان
Yasushi Idemoto, Kazumasa Akatsuka, Naoto Kitamura,