Exploring the Base Functionalized Single Walled Carbon Nanotube: Ab intio Study

Anafcheh, Maryam and Ghafouri, Reza and Hadipour, Nasser L. (2008) Exploring the Base Functionalized Single Walled Carbon Nanotube: Ab intio Study. In: 11th Iranian Physical Chemistry Seminar-July 2008.

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Abstract

In recent years carbon nanotubes have attracted considerable attention because CNs have been shown to posses exceptional electrical and mechanical properties. Single walled carbon nanotubes (SWNTs) are one dimensional system with different diameters and chiralities. Functionalization of single walled carbon nanotubes which means modifying the physical and chemical properties of SWNTs by adsorption of foreign molecules carries great potential in tailoring new nanostructures for desired applications. The combination of biomolecules and SWNTs developed new smart materials. Thus it is very interesting to investigate the biomolecule functionalized SWNTs that may be a new generation of complex materials. We have also proposed one kind of biomolecule-functionalized SWNTs, base-functionalized SWNTs , which may be used as bio-nanomaterials possessing self- assembly property as exhibited in native DNA. The properties of such complexes are favorable to be synthesized detailed abinitio studies. Electric field gradient (EFG) tensors are very sensitive to the electrostatic environment at the site of quadrupole nuclei with spin angular momentum greater than one-half. Because of the inhomogeneity of the electrostatic environment in nanotubes, performing experimental NQR study on nanotubes is very difficult, but high level quantum mechanical calculations can reproduce reliable parameters, therefore performing such studies can help to predict NQR parameters.

Item Type: Conference or Workshop Item (Speech)
Persian Title: Exploring the Base Functionalized Single Walled Carbon Nanotube: Ab intio Study
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 15 Jun 2019 07:35
Last Modified: 15 Jun 2019 07:35
URI: http://repository.uma.ac.ir/id/eprint/6704

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