Structural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworks

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	Structural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworks
	Hu, C. H. ; Wu, S. Q. ; Wen, Y. H. ; Yang, Y. ; Zhu, Z. Z. ; Yang Y(杨勇)
刊名	http://dx.doi.org/10.1021/jp1083289
	2010-11-25
关键词	METAL-ORGANIC FRAMEWORKS TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET HYDROGEN-STORAGE CARBON NANOTUBES AB-INITIO ADSORPTION SITES ELECTRODES
英文摘要	National Natural Science Foundation of China [10774124, 10702056]; In 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.
语种	英语
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/62303]
专题	化学化工－已发表论文
推荐引用方式 GB/T 7714	Hu, C. H.,Wu, S. Q.,Wen, Y. H.,et al. Structural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworks[J]. http://dx.doi.org/10.1021/jp1083289,2010.
APA	Hu, C. H.,Wu, S. Q.,Wen, Y. H.,Yang, Y.,Zhu, Z. Z.,&杨勇.(2010).Structural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworks.http://dx.doi.org/10.1021/jp1083289.
MLA	Hu, C. H.,et al."Structural Design and Two-Dimensional Conductivity of Sheet-Tube Frameworks".http://dx.doi.org/10.1021/jp1083289 (2010).