Publication:
Theoretical study of adsorption of C1-C3 alkoxides on various cap-ended and open-ended armchair (5,5) single-walled carbon nanotubes

Issued Date

2008-01-01

Resource Type

Article

ISSN

00086223

DOI

10.1016/j.carbon.2007.10.018

Other identifier(s)

2-s2.0-38649125225

Rights

Mahidol University

Rights Holder(s)

SCOPUS

Bibliographic Citation

Carbon. Vol.46, No.1 (2008), 12-18

Suggested Citation

Raina Wanbayor, Vithaya Ruangpornvisuti Theoretical study of adsorption of C1-C3 alkoxides on various cap-ended and open-ended armchair (5,5) single-walled carbon nanotubes. Carbon. Vol.46, No.1 (2008), 12-18. doi:10.1016/j.carbon.2007.10.018 Retrieved from: https://repository.li.mahidol.ac.th/handle/123456789/19098

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Title

Theoretical study of adsorption of C1-C3 alkoxides on various cap-ended and open-ended armchair (5,5) single-walled carbon nanotubes

Author(s)

Raina Wanbayor
 Vithaya Ruangpornvisuti

Other Contributor(s)

Mahidol University

Abstract

Adsorption of methoxide, ethoxide and n-propoxide ions on perfect and Stone-Wales defect armchair (5,5) single-walled carbon nanotubes (SWCNTs) of cap-ended C80, C120, open-ended C80H20and C120H20were investigated using two different models. The energetics and thermodynamic properties of adsorption reactions on these SWCNTs were obtained. In the relative alkoxides adsorption on either perfect or Stone-Wales defect of either cap-ended or open-ended (5,5) SWCNTs and their protonated forms are in order: methoxide > ethoxide > n-propoxide. The open-ended SWCNT system, stabilities of alkoxides adsorbed on perfect tubes are more stable than on Stone-Wales defect tubes. © 2007 Elsevier Ltd. All rights reserved.

Keyword(s)

Chemistry

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URI

https://repository.li.mahidol.ac.th/handle/123456789/19098

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Scopus 2006-2010