Materials for Energy and Environmental Technologies - Centre for Energy and Environmental Technologies VSB-TUO

Molecular modelling and design of materials and nanomaterials

Molecular modelling using force fields is an effective tool for the study of nanomaterials. The use of force fields allows working with large models containing more than ten thousand atoms. In addition to the possibility of finding the lowest potential energy of the studied system and the corresponding geometry of the structure, non-bonding interactions between the individual components of the nanocomposite, mixture or solution can also be studied.

Preparation and synthesis of advanced materials and nanomaterials

Physical, chemical and biological methods are used for the preparation and synthesis of advanced materials and nanomaterials. The physical methods are mainly various grinding methods according to the requirements for the size of the final fraction. Other methods include physical vapour deposition (PVD), water jet reduction, and lithography. The main chemical methods are precipitation, exfoliation, supercritical fluid technology and chemical vapour deposition (CVD). Biological methods then use (predominantly) plant organisms to prepare nanoparticles. The prepared materials include, in particular, nanoparticles of metals and their oxides or sulphides and graphene materials, which are further used, for example, as fillers/nanofillers in polymeric or ceramic composite materials or are anchored to clay supports for specific applications.

Characterization of advanced materials, nanomaterials and composite materials

The prepared materials are characterized using methods for their structural and morphological properties (STEM, AFM, optical microscopy, XRD), physical properties (particle size distribution, Zeta-potential, surface size, etc.) and chemical properties (spectrometric methods, AAS, AES -ICP, ICP-MS, XRFS, UV / VIS, chromatographic methods GC / MS, GC / MS / MS, UPLC / DAD / FD, HPLC / DAD / RI, GPC method for determination of phase carbon, etc.).

Testing and applications of advanced materials, nanomaterials and composite materials

Prepared materials, nanomaterials, nanoparticles and nanofillers are used for many applications, for example, as sorbents for wastewater and contaminated water and air treatment (contaminated by VOC, PAHs, petroleum substances, drugs and hormones, etc.), as catalysts and photocatalysts for pollutant removal, for preparation of composite materials with antimicrobial effects, for research and development of batteries and devices for energy storage and storage, for materials used in medicine.

Impact of nanomaterials and nanotechnologies on the environment

The impact of nanomaterials and nanotechnologies on the environment is studied using (predominantly) plants. In cooperation with other workplaces, the antimicrobial effects of the developed materials and nanomaterials are also monitored.