Topics of PhD. 2024/2025

Fluorides for modern applications

Supervisor: doc. Ing. Miroslav Boča, DrSc. e-mail: miroslav.boca@savba.sk
Study program: Inorganic chemistry, inorganic technology and materials

• Object of the work will be the study of inorganic fluorides for various branches (e.g. sensors, lasers, batteries). read more → The content of the study will be the development of synthetic methods, consequent spectral, thermochemical eventually structural characterisation and identification of systems with application potential.
  Keywords : ternary fluorides, spectral characterisation, modification transitions ← hide

Corrosion Resistance of Innovative Materials in Energy Applications: Analysis of Interactions in Molten Salts

Supervisor: doc. Ing. Miroslav Boča, DrSc. e-mail: miroslav.boca@savba.sk
Study program: Inorganic chemistry, inorganic technology and materials

• The subject of the thesis will be the study of desired and undesired interactions among various structural materials in the environment of molten salts. read more → These structural materials are employed in various energy applications ranging from solar energy storage through advanced nuclear reactors to batteries. The aim of the thesis is to identify factors influencing the interactions between materials and molten salts (whether positive or negative) and subsequently propose modifications to experimental conditions to intentionally control these interactions.

  Keywords: corrosion, molten salts, structural materials, alloys, interactions, energy applications ← hide

Design, synthesis, and functionalization of core-shell-corona nanoparticles as templates of hybrid materials

Supervisor: Mgr. Peter Boháč, PhD. e-mail: peter.bohac@savba.sk
Consultant: prof. RNDr. Juraj Bujdák, DrSc. e-mail: juraj.bujdak@savba.sk
Study program: Inorganic chemistry, inorganic chemistry and technology

• Core-shell nanoparticles are two-phase materials with an inner core structure and an outer shell. These nanoparticles are of interest because they can exhibit unique properties resulting from the combination of core-shell material, geometry, and design. read more → The thesis will focus on the design, hydrothermal synthesis, and characterization of core-shell-corona nanoparticles consisting of a SiO2 core and a layered silicate shell. Subsequently, the prepared nanoparticles will be functionalized, primarily focusing on phenomena such as adsorption, adsorption-induced emission, and photosensitization of singlet oxygen, as well as their combinations.

  Keywords: Core-shell-corona nanoparticles, hydrothermal synthesis, photoactivity, layered silicates ← hide

Synthesis and characterization of hybrid materials of layered carriers with organic luminophores

Supervisor: prof. RNDr. Juraj Bujdák, DrSc. e-mail: juraj.bujdak@savba.sk
Study program: Physical chemistry

• The topic of this thesis is the synthesis and characterization of hybrid materials consisting of organic luminophores and layered silicates. read more → Different types of adsorption of organic molecules will be tested, including electrostatic bonds and chemisorption. The synthesis of different structural types of hybrid materials requires optimal synthesis strategies, silicate modifications, and suitable dye derivatives. The objective of the thesis is to produce novel photofunctional materials, to preserve the photoactivity and to specifically change the properties of luminophores.

  Keywords: Fluorescence, organic dyes, layered nanoparticles ← hide

Development of advanced relativistic methods for prediction of spectroscopic parameters

Supervisor: Mgr. Stanislav Komorovský, PhD. e-mail: stanislav.komorovsky@savba.sk
Study program: Theoretical and computational chemistry

• Nowadays, the study of heavy-element containing molecular systems is becoming more important in various scientific areas, e.g. in the development of new materials for data storage, light-emitting diodes, or anticancer metallodrugs. read more → The main goal of the thesis is the development of relativistic methods for calculation of spectroscopic parameters (NMR, EPR, XRay, MCD, …), followed by their implementation into the program ReSpect, that is available for the scientific community at respectprogram.org.

  Keywords: quantum chemistry, NMR, EPR, relativistic theory, numerical methods, computational science ← hide

Development of advanced relativistic methods for prediction of X-ray spectra

Supervisor: Mgr. Stanislav Komorovský, PhD. e-mail: stanislav.komorovsky@savba.sk
Study program: Theoretical and computational chemistry

• The recent experimental advances both in large 4th generation synchrotron facilities as well as in table-top sources, lead to widespread adoption of X-ray spectroscopies with applications in medicine, inorganic chemistry, nuclear-waste treatment, and others. read more → The main goal of the thesis is the development of relativistic theory for calculation of X-ray spectra, followed by their implementation into the program ReSpect, that is available for the scientific community at respectprogram.org.

  Keywords: quantum chemistry, X-ray spectroscopy, relativistic theory, numerical methods, computational science ← hide

Chemistry and electrochemistry of rare earth elements in molten fluorides: recycling and recovery

Supervisor: Ing. Michal Korenko, PhD. e-mail: uachmiko@savba.sk
Study program: Physical chemistry, inorganic technology and materials

• As we progress toward a more sustainable technologies, demand for raw resources, such as Rare Earth Elements will probably rise exponentially. There are no market-ready alternatives, hence the EU is mostly dependent on imports of rare earth elements. read more → To identify the best solution for guaranteeing the sustainable production/recycling of these materials in the optimal eco–economic way in the future, high temperature electrolysis in molten salts promises great potential. The present PHD project deals with the complex physico-chemical (phase equilibria, density, viscosity, surface properties, electrical conductivity), and electrochemical (thermodynamic, kinetic, and diffusion parameters of related redox couples)) analysis of molten fluoride electrolyte systems with rare earth metals.

  Keywords: rare earth elements, molten salt chemistry, electrometallurgy, recycling, high temperature physical chemistry ← hide

Desirable interactions molten fluorides of critical elements

Supervisor: Ing. Blanka Kubíková, PhD. e-mail: blanka.kubikova@savba.sk
Supervisor: doc. Ing. Miroslav Boča, DrSc. e-mail: miroslav.boca@savba.sk
Study program: Physical chemistry, inorganic technology and materials

• Subject of PhD. topic is the study and characterization of molten fluorides of critical elements by means of physico-chemical and thermochemical analysis, read more → as well as spectral and diffraction analysis of pure compounds, molten systems and solidified mixtures after the experiments.

  Keywords: molten fluorides, critical elements, physicochemical analysis, spectral and diffraction analysis ← hide

Interpretation of NMR spin-spin couplings in transition metal complexes

Supervisor: Dr. Vladimír Malkin, DrSc. e-mail: uachmalk@savba.sk
Supervisor: Dr. Oľga Malkin, DrSc. e-mail: uacholga@savba.sk
Study program: Theoretical and computational chemistry

• Transition metal complexes play an important role in many areas of chemistry. It is known than the sign and magnitude of spin-spin couplings in those complexes greatly varies depending on the metal. read more → However, despite a wealth of experimental and theoretical data on the topic no satisfactory explanation has been yet proposed.

  Keywords: NMR, DFT, relativistic quantum chemistry, transition metal complexes ← hide

Development and application of quantum chemical tools for interpretation and analysis of NMR and EPR parameters of heavy-element compounds

Supervisor: Dr. Oľga Malkina, DrSc. e-mail: uacholga@savba.sk
Consultant: Mgr. Stanislav Komorovský, PhD. e-mail: stanislav.komorovsky@savba.sk
Study program: Theoretical and computational chemistry

• Nowadays quantum-chemical programs became indispensable tools in different areas in chemistry. Different options for analyzing the obtained results and explaining the observed trends make them particularly attractive for chemists. read more → However, the development of interpretation tools at the relativistic level necessary for treating heavy-element compounds remains a challenging topic.

  Keywords: NMR, EPR, relativistic quantum chemistry ← hide

Composite materials based on layered hydrosilicates and cationic polymers

Supervisor: Ing. Helena Pálková, PhD. e-mail: helena.palkova@savba.sk
Study program: Inorganic chemistry, inorganic chemistry and technology

• The work will be targeted to the optimization of the preparation of composite materials based on layered aluminosilicates and various types of polycations, so that the resulting material acquires new functional properties, such as antibacterial. read more → The interactions between the inorganic-organic components as well as the influence of the conditions applied on the properties of the composite materials will be studied in detail.

  Keywords: layered aluminosilicate, cationic polymer, surface modification a ← hide

Fluoride melts with potential applications in electrochemical aluminum production

Supervisor: Ing. František Šimko, PhD. e-mail: frantisek.simko@savba.sk
Study program: Inorganic chemistry, physical chemistry

• The work is related to phase and structural analysis of MF−AlF3−Al2O3 systems (M = Na, K and Rb). read more → 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.

  Keywords: molten salts, aluminium electrolysis, cryolite, oxofluoroaluminates ← hide

Interface of Fluoride Melt/Solid Phase: Reactions and Structure of (Oxo)-(Fluoro)-Aluminates for Electronic Applications

Supervisor: Ing. František Šimko, PhD. e-mail: frantisek.simko@savba.sk
Study program: Inorganic chemistry, physical chemistry, inorganic technology and materials

• The topic is focused on the structural characteristics of alkali metal aluminates and oxofluoroaluminates, which can be industrially used as solid electrolytes read more → for the production of metals, due to their high electrical conductivity.

  Keywords: molten salts, solid electrolytes, fast ion conductors, oxofluoroaluminates ← hide

Study of properties of advanced inorganic layered materials by the modelling approach

Supervisor: Ing. Eva Scholtzová, CSc. e-mail: eva.scholtzova@savba.sk
Study program: Inorganic chemistry, physical chemistry, theoretical and computational chemistry

• The properties of the advanced materials based on layered inorganic structures (clays, graphene, etc.) will be studied by computational methods (e.g., DFT). read more → New information on their stability and possibilities of use in the preparation of the sophisticated materials with predicted technological properties for use in green technological properties will be obtained.

  Keywords: advanced inorganic materials, layered structures, DFT, modelling ← hide

New entropy stabilized perovskites for sustainable energy


Supervisor: Ing. Peter Tatarko, PhD., e-mail: peter.tatarko@savba.sk
Study program: Inorganic chemistry

• The work will be focused on the design and development of new high-entropy perovskites with a high electrical conductivity, a high Seebeck coefficient, but a low thermal conductivity. read more → New structures, having at least 4 cations in the A and/or B sites of the ABO3 perovskite structure, will be first theoretically predicted and then experimentally prepared. The main aim will be to generate new knowledge on the effect of multi-principal elements doping in perovskite structures on their thermoelectric performance. This will contribute to the improvement of efficiency in energy conversion of thermoelectric generators, thereby to the ongoing effort to reach a climate neutral Europe.
  Keywords: high entropy materials, perovskite structures, thermoelectric properties, synthesis ← hide

Porous SiOC-based ceramic anodes for sodium-ion batteries

Supervisor: doc. Ing. Zoltán Lenčéš, PhD., e-mail: zoltan.lences@savba.sk
Study program: Inorganic chemistry

• Development of novel silicon oxycarbide/carbon (SiOC/C) ceramic anode with tailored porosity which will serve as a matrix for Na-plating. read more → The porous ceramics will be synthesized from polymer precursor by crosslinking, pyrolysis and sintering. The ceramic anodes will exhibit a hierarchical porosity with defined pore type and distinct pore size distribution. The porous ceramic body will allow an efficient Na deposition and a favourable integration of the anode material with the electrolyte.
  Keywords: sodium-ion batteries, porous ceramics, pyrolysis, conductivity ← hide

Deep eutectic solvents utilization for electrochemical and electroless deposition of Ni, Co, Mo, Fe – containing coatings with high electrocatalytic activity for hydrogen evolution reaction (HER) and destruction of organic waste.

Supervisor: Ing. Miroslav Hnatko, PhD. e-mail: miroslav.hnatko@savba.sk
Consultant: doc. Mgr. Anna Kityk, PhD. e-mail: anna.kytik@savba.sk
Study program: Inorganic chemistry, inorganic technology and materials

• Low-cost and eco-friendly deep eutectic solvents will serve as media for electrochemical deposition and electroless deposition of Ni, Co, Mo, Fe – containing coatings with high electrocatalytic activity for hydrogen evolution reaction (HER) and destruction of organic waste. read more → Different types of DES will be tested, and the optimal chemical compositions of DES and deposition conditions, such as temperature, current density, and duration, will be carefully evaluated for each catalyst. The process of deposition will be performed using different metal and carbon-based substrates in the form of monoliths and foams. The chemical composition, morphology, and catalytic activity will be evaluated for all obtained catalysts. The specificity of HER on obtained electrode materials will be characterized in detail. The kinetic parameters and destruction mechanisms of some organic pollutants will be described.
  Keywords: deep eutectic solvents, electrodeposition, electrocatalysts, hydrogen, electrochemical waste treatment. ← hide

Chemical and electrochemical extraction of all strategically important elements from spent Li-ion batteries in deep eutectic solvent media

Supervisor: Ing. Miroslav Hnatko, PhD. e-mail: miroslav.hnatko@savba.sk
Consultant: doc. Mgr. Anna Kityk, PhD. e-mail: anna.kytik@savba.sk
Study program: Inorganic chemistry, inorganic technology and materials

• In the proposed research work, new type of ionic liquids, deep eutectic solvents (DES), will be used for the electrochemical and chemical extraction of strategically important elements (mainly Ni, Co, Li) from used lithium-ion batteries. read more → A few types of DES will be examined for the efficient and resource-saving recycling of the mentioned elements. The chemical and electrochemical methods will be tested. The mechanisms and kinetic peculiarities will be described in detail for each recycled element. The optimal chemical compositions of DES and conditions for chemical and electrochemical extraction will be proposed. The efficiency of both proposed methods will be evaluated and compared. The strategy of “green” and efficient elements recycling from spent Li-ion batteries in DES will be formulated.

  Keywords: deep eutectic solvents, chemical and electrochemical dissolution, electrodeposition, recycling, Li-ion batteries ← hide

Following alumina dissolution kinetics in industrial cryolite electroly

Supervisor: Ing. František Šimko, PhD.; e-mail: frantisek.simko@savba.sk
Study program: Inorganic technology and materials

• The aim of the work is related to the understanding of the dissolution process of alumina in molten cryolite electrolyte. With a better understanding of the dissolution read more → dynamics and alumina properties that lead to a stable and rapid dissolution, it should be possible to optimize the industrial process of aluminium production. The results are important for both the electrolysis operation, the raw material quality development and sourcing portfolio, as well as improving internal handling systems of process. The project is related to the industrial cooperation with a consortium of main producers of aluminium in the EU (Hydro AS, RT Pechiney).

  Keywords: molten salts, aluminium electrolysis, cryolite, alumina ← hide