2014
DOI: 10.1021/cm501167z
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Predicting the Chiral Enrichment of Metallic SWCNTs on Ni–Cu Bimetallic Surfaces

Abstract: Previous modeling and experimental studies have suggested that Cu-based metal catalysts can preferentially produce metallic carbon nanotubes. Here, we explain this selectivity by separately modeling nanotube cap nucleation and nanotube growth on Cu and Ni x Cu 1−x surfaces. Cap nucleation is modeled by invoking an epitaxial lattice matching criterion and comparing the binding strengths of different cap chiralities. Nanotube growth on various catalyst surfaces was studied by calculating differences in armchair … Show more

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Cited by 7 publications
(3 citation statements)
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“…We can see that a high Re content, low growth temperature, low carbon source feed rate, and short growth time increase the selective growth of m-SWCNTs. Our result is consistent with Bhethanabotla et al ’s theoretical study, which shows that bimetallic Ni 0.5 Cu 0.5 nanoparticles with a large lattice strain or longer average bond length would lead to a significant increase in the growth rate of metallic SWCNTs …”
Section: Resultssupporting
confidence: 93%
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“…We can see that a high Re content, low growth temperature, low carbon source feed rate, and short growth time increase the selective growth of m-SWCNTs. Our result is consistent with Bhethanabotla et al ’s theoretical study, which shows that bimetallic Ni 0.5 Cu 0.5 nanoparticles with a large lattice strain or longer average bond length would lead to a significant increase in the growth rate of metallic SWCNTs …”
Section: Resultssupporting
confidence: 93%
“…Our result is consistent with Bhethanabotla et al's theoretical study, which shows that bimetallic Ni 0.5 Cu 0.5 nanoparticles with a large lattice strain or longer average bond length would lead to a significant increase in the growth rate of metallic SWCNTs. 31 CONCLUSION Kinetics-induced selective growth of m-SWCNTs was realized by manipulating the binding energy between the SWCNTs and the CoRe x alloy catalyst and promoting the growth rate difference under quasi-static CVD conditions. Dispersed CoRe 4 nanoparticles with a mean diameter of 2.3 nm prepared by a BCP assembly method were used to grow SWCNTs by CVD.…”
Section: Resultsmentioning
confidence: 99%
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