CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
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 PublicationJOURNAL OF MATERIALS CHEMISTRY A
ISSN2050-7488
Volume2Issue:16Pages:5910—5914
AbstractTwo 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.
KeywordMetal-organic Frameworks Carbon Nanotubes H-2 Molecules Capacity Temperature Cluster Media
Indexed BySCI
Language英语
WOS IDWOS:000333524800046
Citation statistics
Cited Times:52[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14072
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorgaoyi@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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