Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

Chia M. Chang; Aned De Leon; Posada Amarillas Alvaro; Abraham F. Jalbout

doi:10.1016/j.commatsci.2012.06.023

Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

Chia M. Chang, Aned De Leon, Posada Amarillas Alvaro, Abraham F. Jalbout

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Abstract

In this study, we propose the theoretical investigation of carbon dioxide inside of a zigzag (10.0) SWNT. The results revealed that the carbon dioxide monomers and dimers have an intrinsic tendency to go into the cavity of the nanotube. The adsorption energies also suggested dimerization inside of the nanotube is a realistic probability. © 2012 Elsevier B.V. All rights reserved.

Original language	American English
Pages (from-to)	191-196
Number of pages	6
Journal	Computational Materials Science
DOIs	https://doi.org/10.1016/j.commatsci.2012.06.023
State	Published - 1 Oct 2012

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title = "Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes",

abstract = "In this study, we propose the theoretical investigation of carbon dioxide inside of a zigzag (10.0) SWNT. The results revealed that the carbon dioxide monomers and dimers have an intrinsic tendency to go into the cavity of the nanotube. The adsorption energies also suggested dimerization inside of the nanotube is a realistic probability. {\textcopyright} 2012 Elsevier B.V. All rights reserved.",

author = "Chang, {Chia M.} and {De Leon}, Aned and Alvaro, {Posada Amarillas} and Jalbout, {Abraham F.}",

year = "2012",

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doi = "10.1016/j.commatsci.2012.06.023",

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journal = "Computational Materials Science",

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T1 - Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

AU - Chang, Chia M.

AU - De Leon, Aned

AU - Alvaro, Posada Amarillas

AU - Jalbout, Abraham F.

PY - 2012/10/1

Y1 - 2012/10/1

N2 - In this study, we propose the theoretical investigation of carbon dioxide inside of a zigzag (10.0) SWNT. The results revealed that the carbon dioxide monomers and dimers have an intrinsic tendency to go into the cavity of the nanotube. The adsorption energies also suggested dimerization inside of the nanotube is a realistic probability. © 2012 Elsevier B.V. All rights reserved.

AB - In this study, we propose the theoretical investigation of carbon dioxide inside of a zigzag (10.0) SWNT. The results revealed that the carbon dioxide monomers and dimers have an intrinsic tendency to go into the cavity of the nanotube. The adsorption energies also suggested dimerization inside of the nanotube is a realistic probability. © 2012 Elsevier B.V. All rights reserved.

U2 - 10.1016/j.commatsci.2012.06.023

DO - 10.1016/j.commatsci.2012.06.023

M3 - Article

SP - 191

EP - 196

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

ER -

Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubes

Abstract

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