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篇目详细内容 |
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【篇名】 |
Tripyrrylmethane based 2D porous structure for hydrogen storage |
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【刊名】 |
Frontiers of Physics |
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【刊名缩写】 |
Front. Phys |
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【ISSN】 |
2095-0462 |
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【EISSN】 |
2095-0470 |
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【DOI】 |
10.1007/s11467-011-0176-1 |
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【出版社】 |
Higher Education Press and Springer-Verlag Berlin
Heidelberg |
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【出版年】 |
2011 |
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【卷期】 |
6
卷2期 |
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【页码】 |
220-223
页,共
4
页 |
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【作者】 |
Xiao ZHOU (周啸);
Jian ZHOU (周健);
Kun L？(吕坤);
Qiang SUN (孙强);
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【关键词】 |
tripyrrylmethane; hydrogen storage |
【摘要】 |
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The key to hydrogen storage is to design new materials with light mass, large surface and rich adsorption sites. Based on the recent experimental success in synthesizing tripyrrylmethane, we have explored Ti-tripyrrylmethane based 2D porous structure for hydrogen storage using density functional theory. We have found that the structure is stable, and the exposed Ti sites can bind three hydrogen molecules with an average binding energy of 0.175？eV/H2, which lies in the energy window for storage and release of hydrogen in room temperature and at the ambient pressure. |
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