کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9803389 | 1516466 | 2005 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
EXAFS studies of bimetallic palladium-cobalt nanoclusters using Molecular Dynamics simulations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
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![عکس صفحه اول مقاله: EXAFS studies of bimetallic palladium-cobalt nanoclusters using Molecular Dynamics simulations EXAFS studies of bimetallic palladium-cobalt nanoclusters using Molecular Dynamics simulations](/preview/png/9803389.png)
چکیده انگلیسی
Structural properties of model palladium-cobalt clusters with various composition have been analysed. Their structure is optimised using Sutton-Chen potentials and Monte-Carlo procedure. Radial distribution functions and extended X-ray absorption fine structure (EXAFS) spectra were averaged over atomic configurations along Molecular Dynamics (MD) run. Applicability of the cumulant expansion method for studies of such nanoclusters is discussed. It has been found that shape of EXAFS oscillations of Pd K-edge in the k range 5-8âÃ
â1 strongly depends on composition of a cluster. The same effect is visible for EXAFS spectra of Co K-edge in the range 4-7âÃ
â1. These results are compared to the experimental data obtained for the sample of 50âat.%Pd-50âat.%Co supported on silica.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 401, Issues 1â2, 29 September 2005, Pages 127-134
Journal: Journal of Alloys and Compounds - Volume 401, Issues 1â2, 29 September 2005, Pages 127-134
نویسندگان
BogusÅaw Mierzwa,