Effect of molecular adsorbates on electron transport in carbon nanotube

Ranjit Pati; Laxmidhar Senapati; Yiming Zhang; Pulickel M. Ajayan; Saroj K Nayak

doi:10.1117/12.498568

29 April 2003 Effect of molecular adsorbates on electron transport in carbon nanotube

Ranjit Pati, Laxmidhar Senapati, Yiming Zhang, Pulickel M. Ajayan, Saroj K Nayak

Proceedings Volume 5118, Nanotechnology; (2003) https://doi.org/10.1117/12.498568
Event: Microtechnologies for the New Millennium 2003, 2003, Maspalomas, Gran Canaria, Canary Islands, Spain

Abstract

Using first-principles gradient-corrected density functional theory, we have studied the adsorption of H₂O molecule on a single-wall carbon nanotube and found that H₂O molecules adsorbed on the nanotube surface with hydrogen forming a weak bond with the surface carbon atom. Subsequently, Green's function based Landauer-Buettiker multichannel formalism is used within tight-binding model to calculate the electron transport. Our calculations suggest that the conductivity of the nanotube is reduced with water adsorption is consistent with recent experimental measurements. We have also investigated the effect of endohedral doping in nanotube with C₆₀ molecule on its electron transport property and ofund that encaging of C₆₀ molecule in a semiconducting nanotube enhances the conductivity of the tube. We have compared our conductance results with available experimental results. The decrease of electronic conduction due to water adsorption and the increase in conductivity due to C₆₀ encaging is explained on the basis of charge transfer between the host nanotube and guest molecules.

Citation Download Citation

Ranjit Pati, Laxmidhar Senapati, Yiming Zhang, Pulickel M. Ajayan, and Saroj K Nayak "Effect of molecular adsorbates on electron transport in carbon nanotube", Proc. SPIE 5118, Nanotechnology, (29 April 2003); https://doi.org/10.1117/12.498568

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