نتایج جستجو برای: zigzag carbon nanotubes
تعداد نتایج: 290226 فیلتر نتایج به سال:
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
among the low–dimensional allotropes of carbon, nanotubes and graphene have attracted very much attention from nano–science and nanotechnology specialists. they have been proposed as building blocks in nanometer device engineering. however, these structures are not defect–free. in this thesis, we focused on defective carbon nanotubes and graphene, and studied the effect of couple of very common...
the reaction mechanism between (h2c) and (7, 0), zigzag single-walled carbon nanotubes(zswcnts) on two different orientation of c-c have been studied by semi empirical am!method. the activation barriers of (h2c) adding to (7, 0) zswcnt are computed and compared.the effects of diameters of zigzag swcnt on their binding energies were studied
In this study, a three-dimensional finite element (FE) model for armchair, zigzag and chiral single-walled carbon nanotubes (SWCNTs) is proposed. To create the FE models, nodes are placed at the locations of carbon atoms and the bonds between them are modeled using three-dimensional elastic beam elements. The FE model is used to investigate the influence of chirality and Stone-Wales defects on ...
In this paper, we show that Krypton atoms form a commensurate solid (CS) phase with a fractional coverage of one krypton atom per every four carbons on zigzag carbon nanotubes. This is a unique phase, different from the √ 3×√3R30◦ CS monolayer formed on graphite, which has a lower coverage of one krypton atom per every six carbons. Our prediction disagreeswith experiments that observe in nanotu...
We report structural, elastic, and electronic properties of selected, deformed, single-wall carbon nanotubes under uniaxial strain. We utilized a generalized gradient approximation potential of density functional theory and the linear combination of atomic orbital formalism. We discuss bond-lengths, tubule radii, and the band gaps as functions of tension and compression strain for carbon nanotu...
Metallic single-walled carbon nanotubes have been proposed to be good one-dimensional conductors. However, the finite curvature of the graphene sheet that forms the nanotubes and the broken symmetry due to the local environment may modify their electronic properties. We used low-temperature atomically resolved scanning tunneling microscopy to investigate zigzag and armchair nanotubes, both thou...
geometrical structure, nuclear magnetic resonance (n1,1it) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (sicnts). geometrical structures of sients, sit bonds and bond angles of st and cvertices in both zigzag and armchair nanotubes, indicate that bond lengths are appr...
The reaction mechanism between (H2C) and (7, 0), zigzag single-walled carbon nanotubes(ZSWCNTs) on two different orientation of C-C have been studied by semi empirical AM!method. The activation barriers of (H2C) adding to (7, 0) ZSWCNT are computed and compared.The effects of diameters of zigzag SWCNT on their binding energies were studied
In this paper, electronic properties of single-wall armchair and zigzag carbon nanotubes (CNTs) superlattices, n(12,0)/m(6,6) and n(12,0)/m(11,0) are investigated. For this reason, the topological defects of pentagon–heptagon pairs at interfaces of carbon hexagonal network appear. These defects break the symmetry of the system, and then change the electrical properties. The calculations inclu...
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