Abstract
The electronic structure of Carbon Nanotubes (CNTs) is highly sensitive to the presence of foreign molecules. Also due to the large surface area of CNTs, there is a higher chance of them getting exposed to the surrounding gas molecules. This property is utilized in CNT based gas sensing applications. In this work, we have studied a zigzag CNT (Z-CNT) and simulated the transmission spectra and I–V characteristics using Density functional theory and Extended Huckel theory. Then the change in electrical properties of the Platinum (Pt) contacted Z-CNT on adsorption of NO2 molecules was simulated. Exposure of NO2 increases the conductance of the CNT by extracting electrons from the CNT making it p-type. Higher concentration of gas molecules results in larger change in the conductance due to the accumulated effects of individual gas molecules underlining its effectiveness in the formation of a gas sensor. Pt makes a schottky contact with the zigzag CNT and it was found that there is an appreciable change in the transmission spectrum as well as I-V characteristics making Platinum contacted zigzag CNT a good material for NO2 detection. This study is aimed at understanding effect of adsorption of NO2 and Pt contact on the I–V characteristics.
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References
Calculations are performed with ATOMISTIX TOOLKIT 11.8.2, QUANTUMWISE. http://www.quantumwise.com
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Acknowledgments
The authors would like to acknowledge the efforts of A. Basak, S. Agarwal; M. Tech students at IIT, Roorkee and Akshat Jain, B. Tech student at JMI, Delhi in running the exhaustive simulations needed for this work.
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Jain, N., Manhas, S., Aggarwal, A.K., Chaudhry, P.K. (2014). Effect of Metal Contact on CNT Based Sensing of NO2 Molecules. In: Jain, V., Verma, A. (eds) Physics of Semiconductor Devices. Environmental Science and Engineering(). Springer, Cham. https://doi.org/10.1007/978-3-319-03002-9_162
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DOI: https://doi.org/10.1007/978-3-319-03002-9_162
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-03001-2
Online ISBN: 978-3-319-03002-9
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