کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1621312 1516393 2009 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A quantum chemical study on magnesium(Mg)/magnesium-hydrogen(Mg-H) nanowires
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
A quantum chemical study on magnesium(Mg)/magnesium-hydrogen(Mg-H) nanowires
چکیده انگلیسی
We report on the quantum chemical study of magnesium(Mg)/magnesium-hydrogen(Mg-H) nanowires with the diameter of ∼1 nm. The Mg-H nanowire, which is formed by loading H atoms on the surface of Mg nanowire, exhibits the same hydrogen-storage capacity as that of bulk stoichiometric MgH2 (7.6 wt%) but a significant low desorption enthalpy of 37.55 kJ/mol H2, which corresponds to an ambient-close desorption temperature of 287 K. The subsequent investigations of electronic structure and stability of the Mg-H nanowires reveal that the strength of Mg-H interaction can be further adjusted by considering the H-content and size effects. These results show that the Mg/Mg-H nanowires with the diameter of ∼1 nm are promising for hydrogen storage due to the proper hydride thermodynamics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 484, Issues 1–2, 18 September 2009, Pages 308-313
نویسندگان
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