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The effect of concentration of H 2 physisorption on the current–voltage characteristic of armchair BN nanotubes in CNT–BNNT–CNT set

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Abstract

In this research, we have studied physisorption of hydrogen molecules on armchair boron nitride (BN) nanotube (3,3) using density functional methods and its effect on the current–voltage (I–V) characteristic of the nanotube as a function of concentration using Green’s function techniques. The adsorption geometries and energies, charge transfer and electron transport are calculated. It is found that H2 physisorption can suppress the I–V characteristic of the BN nanotube, but it has no effect on the band gap of the nanotube. As the H2 concentration increases, under the same applied bias voltage, the current through the BN nanotube first increases and then begins to decline. The current–voltage characteristic indicates that H2 molecules can be detected by a BN-based sensor.

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References

  1. A C Dillon, K M Jones, T A Bekkedahl, C H Kiang, D S Bethune, and M J Heben, Nature 386, 377 (1997)

    Article  ADS  Google Scholar 

  2. D C Elias, R R Nair, T M G Mohiuddin, S V Morozov, P Blake, M P Halsall, A C Ferrari, D W Boukhvalov, M I Katsnelson, A K Geim, and K S Novoselov, Science 323, 610 (2009)

    Article  ADS  Google Scholar 

  3. S H Jhi and Y K Kwon, Phys. Rev. B 69, 245407 (2004)

    Article  ADS  Google Scholar 

  4. A H Bayani, N Shahtahmassebi, and F D Vahedi, Physica E 53, 168 (2013)

    Article  ADS  Google Scholar 

  5. F Costanzo, P L Silvestrelli, and F Ancilotto, J. Chem. Theory Comput. 8, 1288 (2012)

    Article  Google Scholar 

  6. Y Wang and J T W Yeow, J. Sens. 2009 (2009)

  7. M Dell’Angela et al, Nano Lett. 10, 2470 (2010)

    Article  ADS  Google Scholar 

  8. L Venkataraman, J E Klare, I W Tam, C Nuckolls, M S Hybertsen, and M L Steigerwald, Nano Lett. 6, 458 (2006)

    Article  ADS  Google Scholar 

  9. D J Mowbray, G Jones, and K S Thygesen, J. Chem. Phys. 128, 111103 (2008)

    Article  ADS  Google Scholar 

  10. J Zhao et al, Nanotechnol. 13, 195 (2002)

    Article  ADS  Google Scholar 

  11. J P Perdew, K Burke, and Y Wang, Phys. Rev. B 54, 16533 (1996)

    Article  ADS  Google Scholar 

  12. J P Perdew, J A Chevary, S H Vosko, K A Jackson, M R Pederson, D J Singh, and C Fiolhais, Phys. Rev. B 46, 6671 (1992)

    Article  ADS  Google Scholar 

  13. N Troullier and J L Martins, Phys. Rev. B 43, 1993 (1991)

    Article  ADS  Google Scholar 

  14. P Giannozzi et al, J. Phys.: Condens. Matter 21, 395502 (2009)

    Google Scholar 

  15. J M Soler, E Artacho, J D Gale, A Garcıa, J Junquera, P Ordejon, and D S Portal, J. Phys.: Condens. Matter 14, 2745 (2002)

    ADS  Google Scholar 

  16. H J Monkhorst and J D Pack, Phys. Rev. B 13, 5188 (1976)

    Article  ADS  MathSciNet  Google Scholar 

  17. J G Esteve, F Falceto, and C G Canal, Phys. Lett. A 374(6), 819 (2010)

    Article  ADS  Google Scholar 

  18. T L Pham, P V Dung, A Sugiyama, N D Duc, T Shimoda, A Fujiwara, and D H Chi, Comput. Mater. Sci. 49, S15 (2010)

    Article  Google Scholar 

  19. X Wu, J Yang, J G Hou, and Q Zhu, J. Chem. Phys. 121, 8481 (2004)

    Article  ADS  Google Scholar 

Download references

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Authors and Affiliations

  1. Nanophysics Group, Malek-Ashtar University of Technology, Tehran, Iran

    R AZIMIRAD & S SAFA

  2. Institute of Nanoscience and Nanotechnology, Kashan University, Kashan, Iran

    A H BAYANI

Authors
  1. R AZIMIRAD
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  2. A H BAYANI
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  3. S SAFA
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Correspondence to S SAFA.

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AZIMIRAD, R., BAYANI, A.H. & SAFA, S. The effect of concentration of H 2 physisorption on the current–voltage characteristic of armchair BN nanotubes in CNT–BNNT–CNT set. Pramana - J Phys 87, 46 (2016). https://doi.org/10.1007/s12043-016-1238-2

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  • DOI: https://doi.org/10.1007/s12043-016-1238-2

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