Advertisement

Colloid Journal

, Volume 80, Issue 5, pp 527–536 | Cite as

Computer Simulation of the Adsorption of meso-Tetra(3-Pyridyl)porphyrin Dye on the Surface of Colloidal CdSe Quantum Dots

  • A. V. Nevidimov
  • V. F. Razumov
Article

Abstract

A classical all-atom molecular dynamics simulation has been used to study the adsorption of mesotetra( 3-pyridyl)porphyrin dye on colloidal quantum dots of cadmium selenide. The competition between dye molecules and ligands covering the quantum dots has been investigated by the examples of trioctylphosphine, trioctylphosphine oxide, octadecylphosphonic acid, and hexadecylamine. It has been shown that the dye is strongly retained by the surface and is not washed out with a solvent either from a free surface or in the presence of trioctylphosphine in the shell. The strength of the adsorption of the dye is equal to that of trioctylphosphine. At the same time, it gives up its place on the surface to stronger ligands, octadecylphosphonic acid and hexadecylamine.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Brichkin, S.B. and Razumov, V.F., Usp. Khim., 2016, vol. 85, p. 1297.CrossRefGoogle Scholar
  2. 2.
    Razumov, V.F., Usp. Fiz. Nauk, 2016, vol. 186, p. 1368.CrossRefGoogle Scholar
  3. 3.
    Murray, C.B., Norris, D.J., and Bawendi, M.G., J. Am. Chem. Soc., 1993, vol. 115, p. 8706.CrossRefGoogle Scholar
  4. 4.
    Spirin, M.G., Brichkin, S.B., and Razumov, V.F., High Energy Chem., 2017, vol. 51, p. 38.CrossRefGoogle Scholar
  5. 5.
    Spirin, M.G., Brichkin, S.B., and Razumov, V.F., High Energy Chem., 2015, vol. 49, p. 193.CrossRefGoogle Scholar
  6. 6.
    Zenkevich, E.I., Stupak, A.P., Kowerko, D., and von Borczyskowski, C., Chem. Phys., 2012, vol. 406, p. 21.CrossRefGoogle Scholar
  7. 7.
    Zen’kevich, E.I., Sagun, E.I., Yarovoi, A.A., Shul’ga, A.M., Knyukshto, V.N., Stupak, A.P., and Bortsiskovski, K., Opt. Spektrosk., 2007, vol. 103, p. 998.CrossRefGoogle Scholar
  8. 8.
    Nevidimov, A.V. and Razumov, V.F., Colloid J., 2016, vol. 78, p. 83.CrossRefGoogle Scholar
  9. 9.
    Brichkin, S.B., Spirin, M.G., Mart’yanova, E.G., Tovstun, S.A., Kozlov, A.V., and Razumov, V.F., High Energy Chem. (in press).Google Scholar
  10. 10.
    Nevidimov, A.V. and Razumov, V.F., Colloid J., 2016, vol. 78, p. 641.CrossRefGoogle Scholar
  11. 11.
    Nevidimov, A.V. and Razumov, V.F., Colloid J., 2018, vol. 80, p. 73.CrossRefGoogle Scholar
  12. 12.
    Vergeldt, F.J., Koehorst, R.B., Van Hoek, A., and Schaafsma, T.J., J. Phys. Chem., 1995, vol. 99, p. 4397.CrossRefGoogle Scholar
  13. 13.
    Phillips, J.C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Skeel, R.D., Kale, L., and Schulten, K., J. Comput. Chem., 2005, vol. 26, p. 1781.CrossRefPubMedPubMedCentralGoogle Scholar
  14. 14.
    Autenrieth, F., Tajkhorshid, E., Baudry, J., and Luthey-Schulten, Z., J. Comput. Chem., 2004, vol. 25, p. 1613.CrossRefPubMedGoogle Scholar
  15. 15.
    Kyrychenko, A., Sevriukov, I.Yu., Syzova, Z.A., Ladokhin, A.S., and Doroshenko, A.O., Biophys. Chem., 2011, vol. 154, p. 8.CrossRefPubMedGoogle Scholar
  16. 16.
    Rabani, E., J. Chem. Phys., 2002, vol. 116, p. 258.CrossRefGoogle Scholar
  17. 17.
    Nevidimov, A.V. and Razumov, V.F., High Energy Chem., 2014, vol. 48, p. 202.CrossRefGoogle Scholar
  18. 18.
    Haughney, M., Ferrario, M., and McDonald, I.R., J. Phys. Chem., 1987, vol. 91, p. 4934.CrossRefGoogle Scholar
  19. 19.
    Nevidimov, A.V. and Razumov, V.F., Colloid J., 2013, vol. 75, p. 191.CrossRefGoogle Scholar
  20. 20.
    Nevidimov, A.V., Zh. Fiz. Khim. B, 2014, vol. 33, p. 49.Google Scholar
  21. 21.
    Tovstun, S.A., Ivanchikhina, A.V., Nikolenko, L.M., Nevidimov, A.V., Brichkin, S.B., and Razumov, V.F., High Energy Chem., 2015, vol. 49, p. 111.CrossRefGoogle Scholar
  22. 22.
    Humphrey, W., Dalke, A., and Schulten, K., J. Mol. Graph., 1996, vol. 14, p. 33.CrossRefPubMedPubMedCentralGoogle Scholar
  23. 23.
    Voevodin, Vl., Zhumatii, S., Sobolev, S., Antonov, A., Bryzgalov, P., Nikitenko, D., Stefanov, K., and Voevodin, Vad., Otkr. Sist. SUBD, 2012, no. 7, p. 36.Google Scholar
  24. 24.
    Gomes, R., Hassinen, A., Szczygiel, A., Zhao, Q., Vantomme, A., Martins, J.C., and Hens, Z., J. Phys. Chem. Lett., 2011, vol. 2, p. 145.CrossRefGoogle Scholar
  25. 25.
    Nevidimov, A.V. and Razumov, V.F., Mol. Phys., 2009, vol. 107, p. 2169.CrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  1. 1.Institute of Problems of Chemical PhysicsRussian Academy of SciencesChernogolovka, Moscow oblastRussia

Personalised recommendations