Worthy hydrogen storage capacity of Li-decorated BC7 sheet
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- 作者：Zhenhong Daia ; dzh@tsinghua.edu.cn" class="auth_mail ; Yinchang Zhaob
- 关键词：Hydrogen storage ; Nanosheet ; Ab initio calculations ; Adsorption structure
- 刊名：Physica E
- 出版年：July 2014
- 年：2014
- 卷：61
- 期：Complete
- 页码：9-13
- 全文大小：2757 K
文摘
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Li-adsorbed BC7 sheet is a promising reversible material for hydrogen storage.
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The adsorption of Li atoms on both sides of the BC7 sheet is researched.
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The BC7 with Li atom coverage 畏=25.0% is most suitable.
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Li–BC7 approach 10.01 wt% of hydrogen at room temperature and 21–350 atm.
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Binding between Li and BC7 sheet effectively prevents clustering of metal atoms.