Topics of PhD. 2019/2020

Proposed topics for 2019/2020

Doctoral study field: Chemical Physics

Development and efficient implementation of fully relativistic methods for prediction of spectroscopic parameters of systems containing heavy elements.
Supervisor: Mgr. Stanislav Komorovský, PhD.

  • The main goal of the thesis is the development of new relativistic methods for calculation of spectroscopic parameters of both diamagnetic and paramagnetic systems, followed by their efficient implementation into the program package ReSpect (www.respectprogram.org).

Development and efficient implementation new relativistic methods for interpretation NMR and EPR spectra of heavy elements compounds.
Supervisor: Dr. Oľga Malkina

  • The project includes the extension of a set of advanced theoretical tools for analyzing and interpreting NMR and EPR parameters of systems containing heavy elements and the application of newly developed methods.

Development of new advanced quantum chemical approaches.
Supervisor: Dr. Vladimir Malkin

  • Development of advanced methods for accurate calculation of electronic structure: going beyond the conventional Kohn-Sham DFT method.

 

Doctoral study field: Inorganic Chemistry/Inorganic Technology And Materials

Development of methods for synthesis of ternary fluorides for modern applications
Supervisor: doc. Ing. Miroslav Boča, DrSc.

  • Object of the work will be the development of new methods for synthesis of pure inorganic fluorides or suitable modification existing ones eventually development of methods for separation of mixtures.

Molten systems in solar applications
Supervisor: doc. Ing. Miroslav Boča, DrSc.
Supervisor: Ing. Viliam Pavlík, PhD.

  • Student will be dealing with simplified input/output thermodynamic calculation used for thermal storage proposal, including suggestions of salts and materials of storage.

Corrosion of superalloys for energy applications
Supervisor: doc. Ing. Miroslav Boča, DrSc.
Supervisor: Ing. Viliam Pavlík, PhD.

  • The aim of the work will be focused on corrosion resistance of high-temperature alloys, including measurements of the surface, microgeometry, thickness of corrosion layer, aggressiveness of environment and gravimetry of the samples.

Phase equilibrium, electrochemical and physico-chemical characteristics of fluoride melts for electrodeposition of rare earth metals and other metals declared by European Commission as critical materials
Supervisor: Ing. Michal Korenko, PhD.

  • The identification of suitable systems, their electrochemical analysis (kinetic and diffusion parameters), and the investigation of their physico-chemical properties (phase equilibria, transport properties, volume properties and surface properties).

Fluorescence nanofilms with cyanine dyes and clay minerals
Supervisor: Mgr. Adriana Czímerová, PhD.

  • Preparation and characterization of a thin layers of nanocomposite materials composed of cyanine dyes/clay minerals/polymer is the way to develop the new type of materials with an extraordinary luminescence properties.

Quantum dots as a light harvesting antennas
Supervisor: Mgr. Adriana Czímerová, PhD.

  • This work will be focused on the study of energy transfer between quantum dots and dye molecules. In studies systems, quantum dots play a role of light-harvesting antennas.

Functional surfaces of polymers modified by layered inorganic nanoparticles
Supervisor: prof. RNDr. Juraj Bujdák. DrSc.

  • Layered nanoparticles modified with surfactants and dyes will be precursors for the preparation of polymer nanocomposites. New types of photoactive surfaces with interesting chemosensor or photosensitizing properties will be prepared.

Application of organo-modified layered hydrosilicates for the synthesis of functional materials
Supervisor: Ing. Helena Pálková. PhD.

  • Design and optimization of synthesis conditions to prepare organomodified layered silicates with the aim to improve their properties using different types of organic species. Studying of the interactions and the extent of changes within prepared inorganic-organic systems.

Study of hybrid materials based on polymer and clay minerals by theoretical computational methods
Supervisor: Ing. Eva Scholtzová, CSc.

  • A new information about an arrangement of intercalated molecules/cations, stability also vibrational spectra of the hybrid materials based on polymer and clay minerals will be obtained by theoretical computational methods.

Preparation and characterization of Si3N4 microspheres
Supervisor: doc. Ing. Miroslav Hnatko, PhD.

  • Proposed work will be focused on the preparation and characterization of silicon nitride based microspheres. Porous Si3N4 microspheres with various content of bioactive phase will be prepared by different technology processes. The mechanical and biological properties will be studied.

Assessment of secondary raw materials for the preparation of materials used in extreme conditions
Supervisor: Ing. Jaroslav Sedláček, PhD.

  • The main objective is development of ceramic materials and/or composites based on nitrides, oxynitrides, carbides as well as oxide materials from the system SiO2-Al2O3-CaO-MgO-MexOy from existing streams of secondary raw materials which come from different industry production.

Development of new SiC-based ceramics with the improved high temperature properties
Supervisor: Ing. Peter Tatarko, PhD.

  • The work will be focused on the synthesis and characterisation of SiC ceramics. The aim will be to develop a unique microstructure and a chemical composition of the materials with the imroved high temperature properties.

Influence of grain boundary chemical composition of nitride ceramics on the mechanical properties
Supervisor: prof. RNDr. Pavol Šajgalík. DrSc.

  • Experimental verification of the assumption that different content of rare earth oxides results in different mechanical behaviour of nitride ceramics will be aim of the thesis.

Development and characterisation of new ceramic biomaterials
Supervisor: Ing. Monika Tatarková, PhD.

  • The work will focus on the development of new bioceramics as a potential replacement of human bones. The aim is to form bioactive surface layer or bioactive phases in bulk ceramics.

Fluoride melts with potential applications in electrochemical aluminum production
Supervisor: Ing. František Šimko, PhD.

  • The aim of work is related to phase and structural analysis of MF−AlF3 (M = Na, K a Rb). These systems have increasing industrial potential, especially in joint application with so-called inert anodes, in aluminium production. The aim of the work is the phase analysis and identification of primary phases.

The solid electrolytes on the basis of fluoride complexes
Supervisor: Ing. František Šimko, PhD.

  • The work deals with the preparation of inorganic fluoride complexes with alkaline cations applicable as solid electrolytes with high conductivity. Thermodynamic, thermochemical, spectral and structural characterisation of complexes will be performed and studied changed will be monitored under temperature change.