Title : ( Theoretical Study on the Sulfur Dioxide Adsorption on the Single-Walled Carbon Nanotube )
Authors: samira peymani , Mohammad Izadyar ,
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Abstract
We investigated the SO2 molecule adsorption on (6, 6) SWCNT with using DFT calculations. We found that SO2 molecule is charge acceptor in this adsorption process. Although the low charge transfer and small changes in the energy gap are implicated as the SO2 molecule physical adsorption on (6,6) SWCNT, reduction of the energy gap due to SO2 absorption elevates the electron transport and improves the conductivity of SWCNT as a chemical sensor.
Keywords
Nanotube; Kinetics: Sulfur dioxide; Conductivity; Band gap
@inproceedings{paperid:1043886,
author = {Peymani, Samira and Izadyar, Mohammad},
title = {Theoretical Study on the Sulfur Dioxide Adsorption on the Single-Walled Carbon Nanotube},
booktitle = {17th Iranian Physical Chemistry Conference},
year = {2014},
location = {Tehran, IRAN},
keywords = {Nanotube; Kinetics: Sulfur dioxide; Conductivity; Band gap},
}
%0 Conference Proceedings
%T Theoretical Study on the Sulfur Dioxide Adsorption on the Single-Walled Carbon Nanotube
%A Peymani, Samira
%A Izadyar, Mohammad
%J 17th Iranian Physical Chemistry Conference
%D 2014
