کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7961670 1513932 2013 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
B24 cluster as promising material for lithium storage and hydrogen storage applications
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
B24 cluster as promising material for lithium storage and hydrogen storage applications
چکیده انگلیسی
First-principles calculations are carried out to explore the possibility of using Li-decorated B24 clusters for storage of lithium and molecular hydrogen. With nine lithium atoms adsorbed on B24, the specific capacity reaches up to 749.1 mA h/g, which is much higher than that of conventional graphite-based electrode materials. The results also show that Li-decorated B24 clusters have considerable potential as promising high-capacity hydrogen storage materials. Through the polarization mechanism, each Li atom can catch two H2 molecules leading to a H2 storage capacity of about 9.24 wt%.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 77, September 2013, Pages 31-34
نویسندگان
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