Embeddability of open-ended carbon nanotubes in hypercubes
نویسندگان
چکیده
منابع مشابه
k-resonance of open-ended carbon nanotubes
An open-ended carbon nanotube or a tubule is a part of some regular hexagonal tessellation of a cylinder. A tubule T is said to be k-resonant if for every k (or fewer) pairwise disjoint hexagons, the subgraph obtained from T by deleting all the vertices of these hexagons must have a Kekule structure (perfect matching) or must be empty. The 1-resonant tubules can be constructed by an approach pr...
متن کاملLithium intercalation in open-ended TiS2 nanotubes.
[*] Prof. Dr. J. Chen, Dr. Z.-L. Tao, Dr. S.-L. Li Institute of New Energy Materials Chemistry Nankai University, Tianjin 300071 (P.R.China) Fax: (+86)22-2350-9118 E-mail: [email protected] [**] The authors acknowledge support from the Trans-Century Distinguished Talent Project (Grant No. 200248) and the Scientific Research Foundation for the Returned Overseas Chinese Scholars (Grant No. 20...
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Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...
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Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...
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In this paper, methane adsorption on open ended single-walled carbon nanotubes (o-SWCNT) is studied using molecular dynamics simulation. A site-site potential model of so-called Leonard-Jones is considered to evaluate all interactions. Monolayer/multilayer adsorption isotherms for methane inside/outside of an armchair (10, 10) o-SWCNT are obtained at different temperatures. The simulation data ...
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ژورنال
عنوان ژورنال: Computational Geometry
سال: 2010
ISSN: 0925-7721
DOI: 10.1016/j.comgeo.2009.12.001