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dc.contributor.authorHu, CHzh_CN
dc.contributor.authorWu, SQzh_CN
dc.contributor.authorWen, YHzh_CN
dc.contributor.authorYang, Yzh_CN
dc.contributor.authorZhu, ZZzh_CN
dc.contributor.author吴顺情zh_CN
dc.date.accessioned2013-12-12T02:46:26Z
dc.date.available2013-12-12T02:46:26Z
dc.date.issued2010-11-25zh_CN
dc.identifier.citationJournal of Physical Chemistry C, 2010,114(46):19673-19677zh_CN
dc.identifier.issn1932-7447zh_CN
dc.identifier.otherWOS:000284287900018zh_CN
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/68870
dc.descriptionNational Natural Science Foundation of China [10774124, 10702056]zh_CN
dc.description.abstractIn this study, a family of defect-free and structurally analogous sheet-tube frameworks (STFs) constructed by tailored graphene sheets and (3n, 3n) armchair single-walled carbon nanotubes (SWCNTs) was proposed. First-principles calculations have been employed to investigate the structural and electronic properties of two typical STFs, namely, STF(6, 6)-I and STF(6, 6)-II. The results show that both are energetically stable and two-dimensionally conductive on the graphene sheets, a result of charge transfer from the tubes to the graphene sheets. All other defect-free STFs have thus been expected to be energetically stable and similar in electronic behaviors as they are structurally analogous to STF(6, 6)-I or STF(6, 6)-II. In addition, the present STFs are all in porous networks with high surface areas, promising their potential applications in the field of energy storage. The two-dimensional (2-D) conductivity of STFs is also expected to find important potential application in nanoelectronics.zh_CN
dc.language.isoen_USzh_CN
dc.source.urihttp://dx.doi.org/10.1021/jp1083289zh_CN
dc.subjectMETAL-ORGANIC FRAMEWORKSzh_CN
dc.subjectTOTAL-ENERGY CALCULATIONSzh_CN
dc.subjectWAVE BASIS-SETzh_CN
dc.subjectHYDROGEN-STORAGEzh_CN
dc.subjectCARBON NANOTUBESzh_CN
dc.subjectAB-INITIOzh_CN
dc.subjectADSORPTIONzh_CN
dc.subjectSITESzh_CN
dc.subjectELECTRODESzh_CN
dc.titleStructural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworkszh_CN
dc.typeArticlezh_CN


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