Effect of H2O adsorption on electron transport in a carbon nanotube
- 30 September 2002
- journal article
- Published by AIP Publishing in Applied Physics Letters
- Vol. 81 (14) , 2638-2640
- https://doi.org/10.1063/1.1510969
Abstract
We have studied the adsorption of molecules on a single-wall carbon nanotube (NT) using first-principles gradient-corrected density-functional theory. Subsequently, Green’s function-based Landauer–Büttiker multichannel formalism within a tight-binding model is used to calculate the electron transport, and our results suggest that molecules adsorbed on the NT surface reduce the electronic conduction in the tube in agreement with recent experimental measurements. The decrease of conductance with water adsorption is explained on the basis of charge transfer between the adsorbate and the NT.
Keywords
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