Designs of fullerene-based frameworks for hydrogen storage
文献类型：期刊论文
| 作者 | Gao, Y ; Wu, XJ ; Zeng, XC |
| 刊名 | JOURNAL OF MATERIALS CHEMISTRY A
 |
| 出版日期 | 2014 |
| 卷号 | 2期号:16页码:5910—5914 |
| 关键词 | METAL-ORGANIC FRAMEWORKS CARBON NANOTUBES H-2 MOLECULES CAPACITY TEMPERATURE CLUSTER MEDIA |
| ISSN号 | 2050-7488 |
| 通讯作者 | gaoyi@sinap.ac.cn ; xjwu@ustc.edu.cn ; xzeng1@unl.edu |
| 英文摘要 | Two types of hybrid metallofullerene framework are theoretically designed, and their structural stabilities are examined using the density functional theory (DFT) computation. Both frameworks are constructed by connecting exohedral metallofullerene nodes with conjugated organic linkers, akin to the common metal-organic framework (MOF). The DFT calculations suggest that hydrogen molecules can be adsorbed in the frameworks with the hydrogen binding energies ranging from 0.15-0.50 eV, satisfying the optimal adsorption condition for hydrogen storage. Moreover, our computation suggests that the frameworks can entail molecular H-2 binding in the range of 8.0-9.2 wt%, meeting the Department of Energy (DOE) target of 2010 or 2015. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000333524800046 |
| 公开日期 | 2015-03-13 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/14072]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Gao, Y,Wu, XJ,Zeng, XC. Designs of fullerene-based frameworks for hydrogen storage[J]. JOURNAL OF MATERIALS CHEMISTRY A,2014,2(16):5910—5914. |
| APA | Gao, Y,Wu, XJ,&Zeng, XC.(2014).Designs of fullerene-based frameworks for hydrogen storage.JOURNAL OF MATERIALS CHEMISTRY A,2(16),5910—5914. |
| MLA | Gao, Y,et al."Designs of fullerene-based frameworks for hydrogen storage".JOURNAL OF MATERIALS CHEMISTRY A 2.16(2014):5910—5914. |
入库方式： OAI收割
来源：上海应用物理研究所
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