Knowledge Management System Of Shanghai Institute of Applied Physics, CAS
| Designs of fullerene-based frameworks for hydrogen storage | |
| Gao, Y; Wu, XJ; Zeng, XC; gaoyi@sinap.ac.cn; xjwu@ustc.edu.cn; xzeng1@unl.edu | |
| 2014 | |
| Source Publication | JOURNAL OF MATERIALS CHEMISTRY A
 |
| ISSN | 2050-7488 |
| Volume | 2Issue:16Pages:5910—5914 |
| Abstract | 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. |
| Keyword | Metal-organic Frameworks Carbon Nanotubes H-2 Molecules Capacity Temperature Cluster Media |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000333524800046 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/14072 |
| Collection | 中科院上海应用物理研究所2011-2020年 |
| Corresponding Author | gaoyi@sinap.ac.cn; xjwu@ustc.edu.cn; xzeng1@unl.edu |
| Recommended Citation GB/T 7714 | Gao, Y,Wu, XJ,Zeng, XC,et al. 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,gaoyi@sinap.ac.cn,xjwu@ustc.edu.cn,&xzeng1@unl.edu.(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. |
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