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

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

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 languageAmerican English
Pages (from-to)191-196
Number of pages6
JournalComputational Materials Science
DOIs
StatePublished - 1 Oct 2012

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