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
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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). |
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