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题名: Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials
作者: Wu, H. Y.1;  Fan, X. F.1;  Kuo, Jer-Lai1, 3;  Deng, Wei-Qiao2
通讯作者: 邓伟侨
刊名: CHEMICAL COMMUNICATIONS
发表日期: 2010
DOI: 10.1039/b911503j
卷: 46, 期:6, 页:883-885
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 11T4
产权排名: 2;4
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: By the incorporation of C atoms into (BN)(12) fullerene, our theoretical investigation shows that carbon doped boron nitride cages (BNC) can achieve a high hydrogen storage amount of 7.43 wt%, and dehydrogenation of the corresponding BNC hydrides (BNCH) is thermodynamically favored for practical applications of hydrogen energy, making BNC competitive candidates for hydrogen storage materials.
关键词[WOS]: METAL-ORGANIC FRAMEWORKS ;  CLUSTER CALCULATION ;  NANOCAGE CLUSTERS ;  ADSORPTION ;  NANOTUBES ;  FULLERENES ;  STABILITY ;  ENERGY
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000274070800009
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/103393
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore
2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
3.Acad Sinica, Inst Atom & Mol Sci, Taipei 106, Taiwan

Recommended Citation:
Wu, H. Y.,Fan, X. F.,Kuo, Jer-Lai,et al. Carbon doped boron nitride cages as competitive candidates for hydrogen storage materials[J]. CHEMICAL COMMUNICATIONS,2010,46(6):883-885.
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