Chair for Multicomponent Materials

Modelling and simulation of nanoparticle formation and deposition

Modelling of various plasma-based processes, partially illustrated in the figure 1, was carried out in close cooperation with the group of Michael Bonitz from theoretical physics in Kiel.  Simulations include the following subjects:

  • Kinetic Monte-Carlo simulations on the formation of metallic nanoparticles and particulate nanocomposites during deposition,
  • Kinetic Monte-Carlo simulations on the formation of rod-like nanostructures,
  • Molecular dynamics simulations on particle coalescence in the gas phase,
  • Molecular dynamics simulations on the formation of granular nanostructures upon metal sputtering on polymers.


Fig.1 Sketch of typical processes of nanoparticle formation occurring in a gas aggregation cluster source in the plasma and during deposition on the substrate 


Selected publications

  • S. Veziroglu, J. Hwang, J. Drewes, I.Barg, J. Shondo, T. Strunskus, O. Polonskyi, F. Faupel, O.C. Aktas. PdO nanoparticles decorated TiO2 film with enhanced photocatalytic and self-cleaning properties. Materials Today Chemistry 16 (2020), 100251. DOI: 10.1016/j.mtchem.2020.100251
  • A. Shelemin, P. Pleskunov, J. Kousal, J. Drewes, J. Hanus, S. Ali-Ogly, D. Nikitin, P. Solar, J. Kratochvil, M. Vaidulych, M. Schwartzkopf, O. Kylian, O. Polonskyi, T. Strunskus, F. Faupel, S. Roth, H. Biederman, A. Choukourov. Nucleation and Growth of Magnetron-Sputtered Ag Nanoparticles as Witnessed by Time-Resolved Small Angle X-Ray Scattering. Particle & Particle Systems Characterization (2019), 1900436. DOI: 10.1002/ppsc.201900436