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Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

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Abstract

We have studied the effect of nitrotyrosine on electronic properties of different single-wall carbon nanotubes by density functional theory. Optimal adsorption configurations of nitrotyrosine adsorbed on carbon nanotube have been determined by calculation of adsorption energy. Adsorption energies indicate that nitrotyrosine is chemisorbed on carbon nanotubes. It is found that the nitrotyrosine adsorption modifies the electronic properties of the semiconducting carbon nanotubes significantly and these nanotubes become n-type semiconductors, while the effect of nitrotyrosine on metallic carbon nanotubes is not considerable and these nanotubes remain metallic. Results clarify sensitivity of carbon nanotubes to nitrotyrosine adsorption and suggest the possibility of using carbon nanotubes as biosensor for nitrotyrosine detection.

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Authors and Affiliations

  1. Department of Physics, Shahid Rajaee Teacher Training University, 16788-15811, Lavizan, Tehran, Iran

    R. Majidi

  2. Department of Chemistry, Shahid Rajaee Teacher Training University, 16788-15811, Lavizan, Tehran, Iran

    A. R. Karami

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  1. R. Majidi
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  2. A. R. Karami
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Correspondence to R. Majidi.

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Majidi, R., Karami, A.R. Nitrotyrosine adsorption on carbon nanotube: a density functional theory study. Indian J Phys 88, 483–487 (2014). https://doi.org/10.1007/s12648-013-0438-6

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  • DOI: https://doi.org/10.1007/s12648-013-0438-6

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