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题名: Theoretical exploration of MgH2 and graphene nano-flakes in cyclohexane: proposing a new perspective toward functional hydrogen storage material
作者: Liu, Runze1;  Zhao, Yinghe2;  Chu, Tianshu3
刊名: CHEMICAL COMMUNICATIONS
发表日期: 2015
DOI: 10.1039/c4cc09424g
卷: 51, 期:12, 页:2429-2432
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: We studied the reaction mechanism of di-n-butylmagnesium decomposing into MgH2 in cyclohexane, and found a new route easier than famous beta- hydride elimination. Further, we explored the dynamic behavior of graphene nano-flakes and MgH2 in cyclohexane, and gained new insights for efficient hydrogen storage material preparation.
关键词[WOS]: MAGNESIUM HYDRIDE ;  MOLECULAR-DYNAMICS ;  CARBON
语种: 英语
WOS记录号: WOS:000348921600057
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146023
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.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Jilin Univ, Inst Theoret Chem, Changchun 130012, Peoples R China
3.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China

Recommended Citation:
Liu, Runze,Zhao, Yinghe,Chu, Tianshu. Theoretical exploration of MgH2 and graphene nano-flakes in cyclohexane: proposing a new perspective toward functional hydrogen storage material[J]. CHEMICAL COMMUNICATIONS,2015,51(12):2429-2432.
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