Published December 2004
| public
Journal Article
A Two-Stage Mechanism of Bimetallic Catalyzed Growth of Single-Walled Carbon Nanotubes
Chicago
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Abstract
Using quantum mechanics we examined critical steps in the growth of single-walled carbon nanotubes (SWCN) for Ni, Co, Pt, Cu, Cr, Fe, Mo, Rh, Pd, and their combinations. This suggests a two-stage mechanism consisting of nucleation of nanotube growth (determining the number of SWCN) and growth with defect repair (determining the length of SWCN) and suggests simple computational tests for efficacy. This leads to efficacies in the order Ni+Co > Ni+Pt > Ni > Ni+Cu, consistent with experiment. These results suggest that Mo+Ni would be a better bimetallic catalyst than the best current catalyst, Ni+Co.
Additional Information
© 2004 American Chemical Society. Received 17 August 2004; Published online 10 November 2004; Published in print 1 December 2004. This work was supported by an NSF-NIRT grant. The facilities of the Materials and Process Simulation Center (MSC) used in these studies were funded by DURIP (ARO and ONR), NSF (CTS and MRI), and a SUR Grant from IBM. In addition, the MSC is funded by grants from ARO-MURI, NIH, Chevron Texaco, General Motors, Seiko-Epson, the Beckman Institute, Asahi Kasei, and Toray Corp.Additional details
- Eprint ID
- 79605
- DOI
- 10.1021/nl048663s
- Resolver ID
- CaltechAUTHORS:20170731-132443967
- NSF
- Army Research Office (ARO)
- Office of Naval Research (ONR)
- IBM
- NIH
- Chevron Texaco
- General Motors
- Seiko-Epson
- Beckman Institute
- Asahi Kasei
- Toray Corp.
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2017-08-01Created from EPrint's datestamp field
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2021-11-15Created from EPrint's last_modified field