Theoretical Investigation of Carbon Nanotubes as Nano Test-tube

Authors

  • M. Al-anber Department of Physics and Mathematics, Fenner Building, room 081, University of Hull, Cottingham Road, Hull, HU6 7RX, UK

Abstract

The quantum calculations (MINDO/3) performed on the structural properties of the CNTs upon adsorption of several glycine and butyric acid radicals. The N-centered glycine and the butyric acid (C1-centered) radicals have most stable complexes with CNT.The diameter and length of the CNT on the anti-binding energies between these two biomolecules with the CNTs show a decrease as the CNT diameter increases while the binding energies increase with CNT length increase. The N-centered glycine radicals prefer to bond at the end of the CNTs while the fatty acid molecules prefer that at the middle of the inside surface of the CNT.

Keyword: nanotubes, semi-empirical methods, interaction, biomolecules.

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Published

2016-09-19

How to Cite

Al-anber, M. (2016). Theoretical Investigation of Carbon Nanotubes as Nano Test-tube. Revista Cubana De Química, 28(3), 793–804. Retrieved from https://cubanaquimica.uo.edu.cu/index.php/cq/article/view/1550

Issue

Vol. 28 No. 3 (2016)

Section

Artículos

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