کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7716159 | 1497466 | 2015 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Total and partial hydrogen restitution in TiFe-H systems
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
الکتروشیمی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Total and partial hydrogen restitution in TiFe-H systems Total and partial hydrogen restitution in TiFe-H systems](/preview/png/7716159.png)
چکیده انگلیسی
Based on density functional theory and full-potential linearised augmented plane wave method, total and partial hydrogen restitution in TiFe-H systems were investigated by formation energy and density of states calculations. The formation energy values indicate that the TiFeH4 is less stable, and the total hydrogen restitution is more reversible compared to TiFeH and TiFeH2. The partial hydrogen restitution from TiFeH4 to TiFeH has the best hydrogen reversibility among TiFe-H systems giving three hydrogen atoms with a formation energy less than half that from total hydrogen restitution in TiFeH4. The density of states (DOS) analyses of TiFe-H systems support the results obtained above. The DOS of TiFe-H systems show that the DOS structure moves towards anti-bonding states at higher energies while hydrogen density increases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Hydrogen Energy - Volume 40, Issue 7, 23 February 2015, Pages 2997-3000
Journal: International Journal of Hydrogen Energy - Volume 40, Issue 7, 23 February 2015, Pages 2997-3000
نویسندگان
Lazhar Mohammedi, B. Daoudi, A. Boukraa,