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Theoretical study of carbonyl sulfide adsorption on Ag-doped SiC nanotubes

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Abstract

We have investigated the interaction of a COS molecule with a SiC nanotube by means of density functional theory calculations. A carbon or silicon atom of the tube was replaced by an Ag atom, exploring its effect on the interaction. Replacing a carbon and a silicon atom by an Ag atom increases and decreases the adsorption energy, respectively. We found that the carbon doping by Ag atom makes the nanotube a potential chemical sensor to the gaseous COS molecules.

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References

  1. S. Iijima, Nature 354, 56 (1991)

    Article  CAS  Google Scholar 

  2. S.H. Mousavipour, R. Chitsazi, J. Iran Chem. Soc. 7, S92 (2010)

    Article  CAS  Google Scholar 

  3. I.V. Bondarev, H. Qasmi, Physica E 40, 2365 (2008)

    Article  CAS  Google Scholar 

  4. S. Jalili, R. Majidi, J. Iran Chem. Soc. 4, 431 (2007)

    Article  CAS  Google Scholar 

  5. V. Zlyomi, J. Kürti, Physical Review B 70, 085403 (2004)

    Article  Google Scholar 

  6. K.M. Alam, A.K. Ray, J. Nanoparticle Res. 11, 1405 (2009)

    Article  CAS  Google Scholar 

  7. J. Beheshtian, A.A. Peyghan, Z. Bagheri, Sens. Actuat. B: Chem. 171–172, 846 (2012)

    Article  Google Scholar 

  8. J. Beheshtian, M.T. Baei, A.A. Peyghan, Z. Bagheri, J. Mol. Mod. 18, 4745 (2012)

    Article  CAS  Google Scholar 

  9. A. Ahmadi Peyghan, A. Omidvar, N.L. Hadipour, Z. Bagheri, M. Kamfiroozi, Physica E 44, 1357 (2012)

    Article  Google Scholar 

  10. X. Pan, Q.-X. Cai, W.-L. Chen, G.-L. Zhuang, X.-N. Li, J.-G. Wang, Comput. Mater. Sci. 67, 174 (2013)

    Article  CAS  Google Scholar 

  11. Y.-A. Lv, G.-L. Zhuang, J.-G. Wang, Y.-B. Jia, Q. Xie, Phys. Chem. Chem. Phys. 13, 12472 (2011)

    Article  CAS  Google Scholar 

  12. J. Zhao, Y. Ding, J. Chem. Theor. Comput. 5, 1099 (2009)

    Article  CAS  Google Scholar 

  13. M.A. Ahmed, E. Garcia, L. Alonso, J.M. Palacios, Appl. Surf. Sci. 156, 115 (2000)

    Article  CAS  Google Scholar 

  14. N. Ikenaga, Y. Ohgaito, H. Matsushima, T. Suzuki, Fuel 83, 661 (2004)

    Article  CAS  Google Scholar 

  15. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993)

    Article  CAS  Google Scholar 

  16. N. O’Boyle, A. Tenderholt, K. Langner, J. Comput. Chem. 29, 839 (2008)

    Article  Google Scholar 

  17. A.A. Peyghan, M. Noei, M. Bigdeli, Tabar. J. Mol. Model. 19, 3007 (2013)

    Article  CAS  Google Scholar 

  18. J. Beheshtian, A.A. Peyghan, Z. Bagheri, Appl. Surf. Sci. 259, 631 (2012)

    Article  CAS  Google Scholar 

  19. M. Moradi, A.A. Peyghan, Z. Bagheri, M. Kamfiroozi, J. Mol. Model. 18, 3535 (2012)

    Article  CAS  Google Scholar 

  20. A.A. Peyghan, A. Soltani, A.A. Pahlevani, Y. Kanani, S. Khajeh, Appl. Surf. Sci. 270, 25 (2013)

    Article  CAS  Google Scholar 

  21. S.F. Rastegar, A.A. Peyghan, N.L. Hadipour, Appl. Surf. Sci. 265, 412 (2012)

    Article  Google Scholar 

  22. H.A. Dabbagh, M. Zamani, H. Mortaji, J. Iran. Chem. Soc. 9, 205 (2012)

    Article  CAS  Google Scholar 

  23. Z. Mahdavifar, M. Haghbayan, Appl. Surf. Sci. 263, 553 (2012)

    Article  CAS  Google Scholar 

  24. A. Ahmadi Peyghan, N. Hadipour, Z. Bagheri, J. Phys. Chem. C 117, 2427 (2013)

    Article  CAS  Google Scholar 

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Correspondence to Zargham Bagheri.

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Peyghan, A.A., Soleymanabadi, H. & Bagheri, Z. Theoretical study of carbonyl sulfide adsorption on Ag-doped SiC nanotubes. J IRAN CHEM SOC 12, 1071–1076 (2015). https://doi.org/10.1007/s13738-014-0567-7

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  • DOI: https://doi.org/10.1007/s13738-014-0567-7

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