کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1294574 | 973624 | 2008 | 17 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of the hydrogen adsorption on AlB nanowire
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
الکتروشیمی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We studied AlB nanowires as hydrogen storage materials based on density functional theory and Rigged QED theory. In this paper, we focused on the adsorption energy and the electronic structure of models. AlB nanowire models are compared with an Al nanowire model and AlB2 crystal structure in terms of density of states, electron density, kinetic energy density, tension density and stress tensor density. These results revealed AlB nanowires do not have the conductivity, while the Al nanowire and AlB2 bulk have it. It was also shown that the stabilization energies of AlB nanowires for the hydrogen adsorption are larger than that of Al nanowire. Adsorped hydrogens are more stable in the AlB nanowires than the Al nanowire.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Power Sources - Volume 184, Issue 1, 15 September 2008, Pages 60–76
Journal: Journal of Power Sources - Volume 184, Issue 1, 15 September 2008, Pages 60–76
نویسندگان
Akinori Fukushima, Kentaro Doi, Masato Senami, Akitomo Tachibana,