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Simulation of Adsorption of Gas Molecules on Carbon Nanosensors

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Book cover The Physics of Semiconductor Devices (IWPSD 2017)

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 215))

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Abstract

Owing to their reduced dimensionality, Carbon Nanotubes and Graphene make for ideal candidates to be explored in varied fields of Science and Technology. Our aim was to study the electron transmission properties of CNTs and Graphene for the sensing application. In this work, we have tried to understand the phenomenon of adsorption of different gas molecules on single-walled Carbon Nanotubes (CNTs) and Graphene Nanoribbons (GNRs). We analyzed the resultant change in the conductance of these nanomaterials in the vicinity of gas molecules by way of simulating their IV characteristics. We have focused on sensing of environmental pollutant NOx and Chemical warfare agent Sarin. The change in properties of CNTs and GNRs due to the interaction between the gas molecules and nanomaterials is studied using Density Functional Theory (DFT). This work would provide us guidance in the development of GNR and CNT based gas sensors.

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References

  1. A.J. Hassan, Ab Initio Simulations of Graphene-based Nanosensor for Detecting NO2 and Li (Ohio State University, Ohio, 2009)

    Google Scholar 

  2. The ABC of DFT Kieron Burkeand friends. Department of Chemistry, University of California, Irvine, CA 92697 (April 10, 2007)

    Google Scholar 

  3. Y.H. Zhang, Y.B. Chen, K.G. Zhou, C.H. Liu, J. Zeng, H.L. Zhang, Y. Peng, Nanotechnology 20(18) (2009). Art. No. 185504

    Article  ADS  Google Scholar 

  4. Atomistix Toolkit manual, version 13.8 (2012)

    Google Scholar 

  5. Width dependent electronic properties of graphene nanoribbons: an ab-initio study. J. Comput. Theor. Nanosci. 9(1–6) (2012)

    Google Scholar 

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Correspondence to Ahsana Sadaf .

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Sadaf, A., Baria, H., Jain, N. (2019). Simulation of Adsorption of Gas Molecules on Carbon Nanosensors. In: Sharma, R., Rawal, D. (eds) The Physics of Semiconductor Devices. IWPSD 2017. Springer Proceedings in Physics, vol 215. Springer, Cham. https://doi.org/10.1007/978-3-319-97604-4_132

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