Theoretical study of amino acids encapsulation in zigzag single-walled carbon nanotubes

Chia M. Chang; Hsiao L. Tseng; Aned De Leon; Alvaro Posada-Amarillas; Abraham F. Jalbout

doi:10.1166/jctn.2013.2729

Theoretical study of amino acids encapsulation in zigzag single-walled carbon nanotubes

Chia M. Chang^*, Hsiao L. Tseng, Aned De Leon, Alvaro Posada-Amarillas, Abraham F. Jalbout

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

In this study, we theoretically investigated the encapsulation of amino acids inside a zigzag singlewalled carbon nanotube. The results revealed the stability of amino acids along the interior cavity wall. Essential structural features were observed upon the modification of encapsulated molecule properties, as well as the surface properties. The carbon nanotube experienced geometrical distortions associated with the corresponding interior molecular structure.

Original language	English
Pages (from-to)	521-526
Number of pages	6
Journal	Journal of Computational and Theoretical Nanoscience
Volume	10
Issue number	3
DOIs	https://doi.org/10.1166/jctn.2013.2729
State	Published - Mar 2013

Keywords

Amino acid
DFT
Zigzag single-walled carbon nanotube

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10.1166/jctn.2013.2729

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AU - Jalbout, Abraham F.

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Theoretical study of amino acids encapsulation in zigzag single-walled carbon nanotubes

Abstract

Keywords

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