Collection of scientific works Nanosystems, nanomaterials, nanotechnologies
Year 2025 Volume 23, Issue 4
Download the full version of the article (PDF) Open Access

V. V. TYTARENKO1 and V. A. ZABLUDOVSKY2

1Dnipro University of Technology, 19, Dmytra Yavornytskoho Ave., UA-49005 Dnipro, Ukraine
2Ukrainian State University of Science and Technologies, 2, Lazaryana Str., UA-49010 Dnipro, Ukraine

Investigation of the Mechanism of Interaction Between Carbon Nanomaterial Particles and Nickel Ions

1015–1028 (2025)

PACS numbers: 31.15.es, 61.05.ср, 61.48.-с, 68.37.Hk, 68.55.ap, 81.05.ub, 81.05.uj

Received 21 February, 2025

In order to investigate a co-deposition mechanism of metal ions and ultradispersed diamond (UDD) particles or molecule fullerene C60, the authors propose quantum-mechanical models for formation of metal–carbon complex. Adsorption properties of the nickel atoms on surface of UDD particles or C60-fullerene molecule are studied by density functional theory method using the B3LYP hybrid functional. Models of complexes of UDD or C60-fullerene molecule with one, two, and three bound metal ions are proposed and optimized. Calculations of complexes’ total energies in the condensed state are carried out using the Gaussian 16 program package. Obtained results for the binding energy of adsorbed nickel ions with nanodiamond particle or C60-fullerene molecule prove that adsorption of nickel ions on a surface of UDD particle or C60-fullerene molecule from the aqueous solution of electrolytes is possible with formation of stable metal–carbon-complexes’ nanomaterial. As assumed, the formed metal–carbon complexes, because of the adsorption of metal atoms on the surface of UDD particle or C60-fullerene molecule, gain a charge in the electrolyte solution and move towards the cathode under the action of an electric field created by the potential difference between the anode and the cathode. Phase composition analyses for metal coatings, the results of SEM studies of the surface, and metallography of end sections of electrolytic nickel coatings confirm the assumption about the mechanism of co-deposition of metal ions and UDD or C60-fullerene molecule on the cathode. The presence of carbon-containing material in the composite nickel coating is recorded as dark inclusions.

KEY WORDS: electrodeposition, carbon nanomaterial, metal-carbon complex, quantum-mechanical model, binding energy

DOI: https://doi.org/10.15407/nnn.23.04.1015

Citation:
V. V. Tytarenko and V. A. Zabludovsky, Investigation of the Mechanism of Interaction Between Carbon Nanomaterial Particles and Nickel Ions, Nanosistemi, Nanomateriali, Nanotehnologii, 23, No. 4: 1015–1028 (2025); https://doi.org/10.15407/nnn.23.04.1015
REFERENCES
  1. G. K. Burkat, T. Fujimura, V. Yu. Dolmatov, E. A. Orlova, and M. V. Veretennikova, Diam. Relat. Mater., 14: 1761 (2005); https://doi.org/10.1016/j.diamond.2005.08.004
  2. M. Liu, H. Liu, D. Wang, B. Liu, Y. Shi, F. Li, Y. Gong, L. Li, and W. Zhang, Materials, 12, No. 2: 1105 (2019); https://doi.org/10.3390/ma12071105
  3. W. Liping, G. Yan, X. Qunji, H. Liu, and T. Xu, Mater. Sci. Eng. A, 390: 313 (2005); https://doi.org/10.1016/j.msea.2004.08.033
  4. V. P. Isakov, A. I. Lyamkin, D. N. Nikitin, A. S. Shalimova, and A. V. Solntsev, Protec. Met. Phys. Chem. Surf., 46, No. 5: 578 (2010); https://doi.org/10.1134/S2070205110050138
  5. V. V. Tytarenko, V. A. Zabludovsky, and E. Ph. Shtapenko, Inorg. Mater.: Appl. Res., 10, No. 3: 589 (2019); https://doi.org/10.1134/S2075113319030419
  6. I. R. Robiul, Md. Hasan Ali, Md. Abu Jafor, and Md. Mahmodul Alam, Mat. Sci., 6, No. 5: 756 (2019); https://doi.org/10.3934/matersci.2019.5.756
  7. V. A. Zabludovsky, V. V. Tytarenko, and E. Ph. Shtapenko, Transactions of the IMF, 95, No. 6: 337 (2017); https://doi.org/10.1080/00202967.2017.1355463
  8. Hiroshi Matsubara, Yoshihiro Abe, Yoshiyuki Chiba, Hiroshi Nishiyama, Nobuo Saito, Kazunori Hodouchi, and Yasunobu Inoue, Electrochim. Acta, 52, Iss. 9: 3047 (2007); https://doi.org/10.1016/j.electacta.2007.01.030
  9. Xiangzhu He, Yongxiu Wang, Xin Sun, and Liyong Huang, Nanosci. Nanotechnol. Lett., 4: 48 (2012); https://doi.org/10.1166/nnl.2012.1286
  10. V. V. Tytarenko, V. A. Zabludovsky, E. Ph. Shtapenko, and I. V. Tytarenko, Galvanotechnik, 4: 648 (2019).
  11. C. Gheorghies, D. E. Rusu, and A. S. Bund, Appl. Nanosci., 4: 1021 (2014); https://doi.org/10.1007/s13204-014-0332-3
  12. V. N. Tseluikin, Prot. Met. Phys. Chem. Surf., 53: 433 (2017); https://doi.org/10.1134/S2070205117030248
  13. V. N. Tseluikin, O. G. Nevernaya, and G. V. Tseluikina, Inorg. Mater.: Appl. Res., 2: 521 (2011); https://doi.org/10.1134/S2075113311050297
  14. X. Wang, F. Tang, X. Qi, Z. Lin, D. Battocchi, and X. Chen, Nanomaterials, 9: 1476 (2019); https://doi.org/10.3390/nano9101476
  15. A. Ramanathan, P. K. Krishnan, and R. Muraliraja, J. Manuf. Process., 42: 213 (2019); https://doi.org/10.1016/j.jmapro.2019.04.017
  16. A. Dorri Moghadam, E. Omrani, P. L. Menezes, and P. K. Rohatgi, Compos. Part B: Eng., 77: 402 (2015); https://doi.org/10.1016/j.compositesb.2015.03.014
  17. S. R. Bakshi, D. Lahiri, and A. Agarwal, Int. Mater. Rev., 55, No. 1: 41 (2010); https://doi.org/10.1179/095066009X12570543
  18. Z. Hu, G. Tong, D. Lin, C. Chen, H. Guo, J. Xu, and L. Zhou, Mat. Sci. Technol., 32, No. 9: 930 (2016); https://doi.org/10.1080/02670836.2015.1104018
  19. S. B. Sinnott and E. C. Dickey, Mat. Sci. Eng. R, 43: 1 (2003); https://doi.org/10.1016/j.mser.2003.09.001
  20. Caihao Qiu, Yishi Su, Jingyu Yang, Boyang Chen, Qiubao Ouyang, and Di Zhang, Composites Part C: Open Access, 4: 100120 (2021); https://doi.org/10.1016/j.jcome.2021.100120
  21. G. Cheng, L. Geunsik, S. Bin, E. M. Vogel, R. M. Wallace, and C. Kyeongjae, J. Appl. Phys., 108: 123711 (2010); https://doi.org/10.1063/1.3524232
  22. L. Pei, X. Jingpei, W. Aiqin, M. Dougin, and M. Zhiping, Appl. Surf. Sci., 517: 146040 (2020); https://doi.org/10.1016/j.apsusc.2020.146040
  23. M. Vanin, J. Mortensen, A. K. Kelkkanen, J. M. Garcia-Lastra, K. S. Thygesen, and K. W. Jacobsen, Phys. Rev. B, 81: 081408(R) (2010); https://doi.org/10.1103/PhysRevB.81.081408
  24. K. Pi, K. M. McCreary, W. Bao, H. Wei, Y. F. Chiang, Y. Li, S.-W. Tsai, C. N. Lau, and R. K. Kawakami, Phys. Rev. Β, 80: 075406 (2009); https://doi.org/10.1103/PhysRevB.80.075406
  25. R. Skyner, J. L. McDonagh, C. R. Groom, T. Mourika, and J. B. O. Mitchell, Phys. Chem. Chem. Phys., 17: 6174 (2015); https://doi.org/10.1039/C5CP00288E
  26. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (New York: 1989).
  27. W. Koch and M. C. Holthausen, A Chemist's Guide to Density Functional Theory (New York: 2001).
  28. A. V. Arbuznikov, Struct. Chem., 48: S1 (2007); https://doi.org/10.1007/s10947-007-01
  29. M. K. Sabbe, M. F. Reyniers, and K. Reuter, Catal. Sci. Technol., 2: 2010 (2012); https://doi.org/10.1039/C2CY20261A
  30. N. Lopez, N. Almora-Barrios, G. Carchini, B. Piotr, L. Bellarosa, R. García-Muelas, G. Novell-Leruth, and M. Garcia-Mota, Catal. Sci. Technol., 2: 2405 (2012); https://doi.org/10.1039/C2CY20384G
  31. T. C. Allison and Y. Y. J. Tong, Phys. Chem. Chem. Phys., 13: 12858 (2011); https://doi.org/10.1039/C1CP20376B
  32. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 16, Revision B.01 (Wallingford CT: Gaussian, Inc.: 2016).
  33. G. Schreckenbach, P. J. Hay, and R. L. Martin, Inorg. Chem., 37: 4442 (1998); https://doi.org/10.1021/ic980057a
  34. Georg Schreckenbach, P. Jeffrey Hay, and Richard L. Martin, J. Comput. Chem., 20: 70 (1999); https://doi.org/10.1002/(SICI)1096-987X(19990115)20:1<70::AID-JCC9>3.0.CO;2-F
  35. A. D. Becke, Chem. Phys., 20: 70 (1999); https://doi.org/10.1007/PL00021027
  36. V. V. Tytarenko, V. A. Zabludovsky, E. Ph. Shtapenko, and I. V. Tytarenko, Phys. Chem. Solid State, 23, No. 3: 461 (2022); https://doi.org/10.15330/pcss.23.3.461-467