Interaction between alanine and single-walled carbon nanotube: A density functional theory study

M. Rajarajeswari, K. Iyakutti, Y. Kawazoe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We have investigated the adsorption of amino acid alanine on single-walled carbon nanotube using ab initio calculations based on density functional theory. Our study shows that the non-covalent interaction of alanine with nanotube depends upon the functional group nearer to the tube wall. Interaction through the amine group of alanine seems to be the most favourable adsorption pathway. The functionalization does not significantly change the metallic property of the nanotube.

Original languageEnglish
Title of host publicationSolid State Physics - Proceedings of the 55th DAE Solid State Physics Symposium 2010
Pages293-294
Number of pages2
EditionPART A
DOIs
Publication statusPublished - 2011 Sep 12
Event55th DAE Solid State Physics Symposium 2010 - Manipal, India
Duration: 2010 Dec 262010 Dec 30

Publication series

NameAIP Conference Proceedings
NumberPART A
Volume1349
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other55th DAE Solid State Physics Symposium 2010
CountryIndia
CityManipal
Period10/12/2610/12/30

Keywords

  • Amino acids
  • Carbon nanotubes
  • Density functional theory
  • Non-covalent interaction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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