Skip to main content
Skip header

Research activities

The research in the Laboratory of molecular simulations and functional nanostructures focused on the following areas:

Research and development of photoactive nanocomposites based on clay minerals modified with photoactive nanoparticles (TiO2, ZnO, ZnS). Emphasis is placed not only on the reproducibility of the preparation process and high photocatalytic activity of the nanocomposites, but also on the ecological safety of preparation technologies and the environmental friendliness of the resulting photocatalysts.

Research in the field of nanofibrous materials modified with antibacterial substances or photoactive nanoparticles for medical or filtration purposes is performed in cooperation with external partners.

Interaction of nanomaterials with living organisms. Studies of veterinary use, phytotoxicity and antibacterial effects of prepared nanomaterials are performed in cooperation with external partners. Studies of the impact of brake wear (model and real) on the environment are performed not only in cooperation with external partners.

Testing the protective properties of hydrophobic and photocatalytic layers, based on siloxanes and containing photoactive nanoparticles, on stone surfaces (water absorption, self-cleaning effect, biodeterioration) is carried out in cooperation with external partners.

Research and development of electrically conductive nanocomposites based on clay minerals modified with conductive polymers (polyaniline, polypyrrole). Monitoring of long-term changes in the properties of various forms of nanocomposites (powders, thin films, tablets) and study of the use of these nanocomposites for the preparation of nanomaterials containing graphene structures.

Characterization of nanomaterials in terms of structure using X-ray diffraction analysis, Raman and IR spectroscopy. Study of optical properties using UV-VIS and DRS (diffusion reflectance) spectrophotometry. Study of photocatalytic activity by established method. Study of surfaces using light microscopy.

Computer simulations of nanomaterials are performed using molecular mechanics and dynamics in the Biovia Materials Studio modeling environment. X-ray diffraction and IR spectra simulated in this modeling environment also serve for the structural characterization of nanomaterials.

The research is carried out in collaboration with Faculty of Science at J. E. Purkyně University in Ústí nad Labem, Department of Mechanical Engineering and Energy Processes at Southern Illinois University in USA, Slovak Medical University in Bratislava, Faculty of Science and Faculty of Mathematics and Physics at Charles University in Prague, Institute of Experimental Botany of the Czech Academy of Sciences in Prague, Institute of Geonics of the Czech Academy of Sciences in Ostrava, Veterinary Research Institute in Brno, or biotechnology company Contipro in Dolní Dobrouč.


  • X-ray Powder Diffractometer BRUKER D8 ADVANCE (Bruker AXS, Germany) with cobalt lamp, equipped with PDF 2 Release 2004 database.
  • Raman Confocal Microscope XploRA™ (Horiba Jobin Yvon, France)
  • UV-VIS Spectrometer CINTRA 303 (GBC Scientific Equipment)
  • Cellometer Auto T4 (Nexcelom Bioscience LLC., USA) and Optical Microscope Olympus CX31 (Olympus)
  • Optical Digital Microscope VHX-500 (Keyence Corporation, Japan)
  • line-KBW growth chamber (E5.1) with adjustable illumination cassettes and RD3 microprocessor (Binder GmbH)
  • Nicolet 6700 FT-IR Fourier Transform Infrared Spectrometer (Thermo Scientific, USA)
  • Laminar flow box Steril Bio Ban Compact (Schoeller)
  • Benchtop Autoclave Tuttnauer 3850 EL (Tuttnauer)

Offered services

  • X-ray diffraction analysis
  • Fourier transform infrared spectroscopy
  • Raman spectroscopy
  • UV-VIS spectroscopy and DRS (diffusion reflectance) spectrophotometry
  • Optical microscopy
  • Biodeterioration - determination of the resistance of surfaces to overgrowth with biofilm
  • Determination of acute toxicity using green algae


doc. Ing. Jonáš Tokarský, Ph.D.
phone: +420 597 321 606+420 597 321 519