Inducing different functional properties to the external and internal surfaces of single-walled carbon nanotubes

M. Rajarajeswari, K. Lyakutti, M. W.C. Dharma-Wardana, Y. Kawazoe

研究成果: Article査読

1 被引用数 (Scopus)

抄録

We report the results of our first principles study about inducing different functional properties to the external and internal surfaces of (5, 0) and (10, 0) single-walled carbon nanotubes. Nucleic acid base-uracil is adsorbed on the outer surface of the single-walled carbon nanotubes and the water molecules are getting inside the tube. Our result shows that uracil is physisorbed on carbon nanotube and interacts via π electrons. The introduction of water molecules inside the nanotube modifies the nature and strength of interaction on the outer surface and the uracil is desorbed from the carbon nanotube. This process demonstrates the possibility of controlling the molecule on the outer surface by adding the suitable molecules to the interior of the tube and the usability of carbon nanotube for carrying and delivering drug and gene.

本文言語English
ページ(範囲)1468-1473
ページ数6
ジャーナルJournal of Computational and Theoretical Nanoscience
6
7
DOI
出版ステータスPublished - 2009 7月

ASJC Scopus subject areas

  • 化学 (全般)
  • 材料科学(全般)
  • 凝縮系物理学
  • 計算数学
  • 電子工学および電気工学

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