Skip to main content
SpringerLink
Log in

Electronic and optical properties of the H2O adsorbed the B-N-C nanotubes

  • Regular Article
  • Published:
The European Physical Journal B Aims and scope Submit manuscript

Abstract

We investigate the structures and properties of boron/nitrogen co-doped carbon nanotube with water molecules adsorbing. The electronic and optical properties of the systems are calculated by using the first-principles theory in detail. The results reveal that the doped nanotubes show hydrophilic behavior when the oxygen atoms are close to the nanotubes. The Mulliken charges redistribute and transfer between the doped carbon nanotubes and the water molecules. The band gaps of the nanotubes vary with the positions of H2O. The positions and intensities of the reflectivity peaks are affected by the distributions of boron/nitrogen atoms and the positions of water molecules. The investigations are beneficial to further biological applications of co-doped nanotubes.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Yuyan Shao, Jun Wang, H. Wu, Jun Liu, Ia Aksay, Electroanalysis 22, 1027 (2010)

    Article  Google Scholar 

  2. Yuling Yang, Xiaoyi Li, Jinliang Jiang, Huailiang Du, Lina Zhao, Yuliang Zhao, ACS Nano 4, 5755 (2010)

    Article  Google Scholar 

  3. E.J.F. Carvalho, M.C. dos Santos, Eur. Phys. J. B 75, 147 (2010)

    Article  ADS  Google Scholar 

  4. S. Lim, H. Elim, X. Gao, A. Wee, W. Ji, J. Lee, J. Lin, Phys. Rev. B 73, 1 (2006)

    Article  Google Scholar 

  5. H.J. Burch, J.A. Davies, E. Brown, L. Hao, S.A. Contera, N. Grobert, J.F. Ryan, Appl. Phys. Lett. 89, 143110 (2006)

    Article  ADS  Google Scholar 

  6. M. Terrones, Ann. Rev. Mater. Res. 33, 419 (2003)

    Article  ADS  Google Scholar 

  7. N.R. Arutyunyan, D.V. Baklashev, E.D. Obraztsova, Eur. Phys. J. B 75, 163 (2010)

    Article  ADS  Google Scholar 

  8. D. Lu, A. Aksimentiev, A.Y. Shih, E. Cruz-Chu, P.L. Freddolino, A. Arkhipov, K. Schulten, Phys. Biol. 3, S40 (2006)

    Article  ADS  Google Scholar 

  9. F. Balavoine, P. Schultz, C. Richard, V. Mallouh, T.W. Ebbesen, Chem. Mioskowski, Angem. Chem. Int. Ed. 38, 1912 (1999)

    Article  Google Scholar 

  10. B.F. Erlanger, Bi-Xing Chen, Min Zhu, L. Brus, Nano Lett. 1, 465 (2001)

    Article  ADS  Google Scholar 

  11. Weijie Huang, S. Taylor, Kefu Fu, Yi Lin, Donghui Zhang, T.W. Hanks, A.M. Rao, Ya-Ping Sun, Nano Lett. 2, 311 (2002)

    Article  ADS  Google Scholar 

  12. A. Alexiadis, Chem. Rev. 108, 5014 (2008)

    Article  Google Scholar 

  13. C. Caillier, D. Machon, A. San-Miguel, R. Arenal, G. Montagnac, H. Cardon, M. Kalbac, M. Zukalova, L. Kavan, Phys. Rev. B 77, 1 (2008)

    Article  Google Scholar 

  14. W.L. Wang, X.D. Bai, K.H. Liu, Z. Xu, D. Golberg, Y. Bando, E.G. Wang, J. Am. Chem. Soc. 128, 6530 (2006)

    Article  Google Scholar 

  15. Zhi Xu, Wengang Lu, Wenlong Wang, Changzhi Gu, Kaihui Liu, Xuedong Bai, Enge Wang, Hongjie Dai, Adv. Mater. 20, 3615 (2008)

    Article  Google Scholar 

  16. L.N. Chen, F.P. Ouyang, S.S. Ma, X.Z. Wu, J. Xiao, H. Xu, Phys. Lett. A 374, 4343 (2010)

    Article  ADS  Google Scholar 

  17. Shu Peng, Kyeongjae Cho, Nano 3, 513 (2003)

    Google Scholar 

  18. Yung-Ta Li, Tei-Chen Chen, Nanotechnology 20, 375705 (2009)

    Article  Google Scholar 

  19. A. Khan, J. Phys. Chem. B 104, 11268 (2000)

    Article  Google Scholar 

  20. P. Ordejón, E. Artacho, J. Soler, Phys. Rev. B: Condens. Matter 53, R10441 (1996)

    Article  ADS  Google Scholar 

  21. J. Soler, E. Artacho, J. Gale, J. Phys.: Condens. Matter 14, 2745 (2002)

    Article  ADS  Google Scholar 

  22. N. Troullier, Phys. Rev. B 43, 1993 (1991)

    Article  ADS  Google Scholar 

  23. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990)

    Article  ADS  Google Scholar 

  24. M.C. Payne, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992)

    Article  ADS  Google Scholar 

  25. J. Zhao, A. Buldum, J. Han, J. Lu, Nanotechnology 13, 195 (2002)

    Article  ADS  Google Scholar 

  26. J. Beheshtian, H. Behzadi, M.D. Esrafili, B.B. Shirvani, N.L. Hadipour, Struct. Chem. 21, 903 (2010)

    Article  Google Scholar 

  27. K. Falk, F. Sedlmeier, L. Joly, R.R. Netz, L. Bocquet, Nano Lett. 10, 4067 (2010)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. College of Optoelectronic Information, Chongqing University of Technology, Chongqing, 400054, P.R. China

    J. W. Wei & L. C. Pu

  2. College of Physical Science and Technology, Yangtze University, Jingzhou, 434023, P.R. China

    H. Zeng

  3. Department of Physics and Information Science, Yulin Normal University, Yulin, 537000, P.R. China

    J. W. Liang

  4. College of Science and Technology of Material, Hunan University, Changsha, 410082, P.R. China

    P. Peng

Authors
  1. J. W. Wei
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. H. Zeng
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. L. C. Pu
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. J. W. Liang
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. P. Peng
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to L. C. Pu.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Wei, J.W., Zeng, H., Pu, L.C. et al. Electronic and optical properties of the H2O adsorbed the B-N-C nanotubes. Eur. Phys. J. B 81, 133–136 (2011). https://doi.org/10.1140/epjb/e2011-20010-9

Download citation

  • Received:

  • Revised:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1140/epjb/e2011-20010-9

Keywords

Search

Navigation