2011
DOI: 10.1021/jz200417b
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Charge Transfer between Metal Clusters and Growing Carbon Structures in Chirality-Controlled Single-Walled Carbon Nanotube Growth

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Cited by 23 publications
(24 citation statements)
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“…They proposed that the energetic smoothness of carbon addition in (6,5) SWCNT may account for its experimentally high occurrence. Wang et al [414] simulated the growth of armchair (5,5), chiral (6,5), and zigzag (9,0) nanotubes on a relaxed Ni 55 cluster and studied the reactivity caused by charge transfer between the metal particle and the tube. They notably found that the edge of a (6,5) tube presents one particularly reactive site which could explain the preferential growth of chiral (6,5) nanotubes over armchair (5,5) and zigzag (9,0) nanotubes.…”
Section: Growth-rate Selectivitymentioning
confidence: 99%
“…They proposed that the energetic smoothness of carbon addition in (6,5) SWCNT may account for its experimentally high occurrence. Wang et al [414] simulated the growth of armchair (5,5), chiral (6,5), and zigzag (9,0) nanotubes on a relaxed Ni 55 cluster and studied the reactivity caused by charge transfer between the metal particle and the tube. They notably found that the edge of a (6,5) tube presents one particularly reactive site which could explain the preferential growth of chiral (6,5) nanotubes over armchair (5,5) and zigzag (9,0) nanotubes.…”
Section: Growth-rate Selectivitymentioning
confidence: 99%
“…The total binding energy required for the cap lift off can be obtained by adding the binding energy between each carbon atom in the cap and the catalyst surface (E BC-M ). Larger-diameter caps contain greater number of carbon atoms (C cap ) ((6,4):C cap ∼ 30, (6,5):C cap ∼ 43) 27 , 28 , thereby requiring a higher energy for lifting off the large diameter SWNTs than that for the smaller ones. Thus, the upper limit of diameter for SWNTs grown under the same growth temperature should be down shifted by introducing the pretreatment due to the increase of E BC-M (Fig.…”
Section: Discussionmentioning
confidence: 99%
“…1 There have been also first-principles theoretical studies on the growth of single-walled CNTs concerning also the initial formation of the cap on transition-metal catalytic particles [10,11]. Reich et al [12], have reported that the geometric structure of a cap uniquely determines the chirality of the nanotube that is attached to it, implying a possibility for chirality selective growth of single-walled CNTs by CVD method.…”
Section: Introductionmentioning
confidence: 99%