The list of national projects SAS

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Institute: Institute of Inorganic Chemistry

Low melting electrolytes and wetted cathodes with potential for electrolytic aluminium production
Elektrolyty s nízkou teplotou topenia a zmáčané katódy s potenciálom pre zlepšenie procesu výroby hliníka
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation:The project is focused on the study and investigation of low-melting KF electrolytes, theirs structure and physico-chemical behaviour. These electrolytes with lower melting points are considered as electrolytes of a new generation for aluminium production process with application of “wetted” cathodes, as they could reduce an energy consumption of the process. The project also includes the corrosion investigation of possible catthode materials (TiB2, ZrB2 and SiC) in studied fluoride melts. The use of a variety of spectral techniques, in addition to the measurement of physico-chemical properties, enables us to find the links between the structure of molten systems (their internal environment in molten state) and theirs physic-chemical behavior, which in turn allows more qualified prediction and modeling of aluminium industrial applications.
Duration: 1.1.2014 - 31.12.2017

Fluoride melts of critical elements for unconventional applications
Fluoridové taveniny kritických prvkov pre nekonvenčné aplikácie
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.7.2016 - 30.6.2020

Photoactive hybrid materials
Fotoaktívne hybridné materiály
Program: VEGA
Project leader: Mgr. Czímerová Adriana PhD.
Annotation:Presented project is focused on investigation of hybrid systems based on quantum dots, clay minerals and organic dyes of porphyrin and cyanine type. These systems are supposed to show the important photophysical properties, such as high fluorescence quantum yield, stability. The main aim of the project is a synthesis of quantum dots with various particles` size and their consequent incorporation into a thin layers of clay minerals and into systems composed of clay mineral/porphyrin dye and clay mineral/cyanine dye. The key factors of project`s investigation will be to find out the suitable technique to suppress the undesired aggregation phenomena of dyes, as well as mastering the techniques for a preparation of transparent thin films. The next important stage of the project will be to investigate and to manage a controlled energy transfer among dyes, where the quantum dots will serve as light-harvesting antennas, transferring the energy to a clay-incorporated organic dyes. In this context, we expect a formation of multi-atomic systems with unique luminescence properties.
Duration: 1.1.2017 - 31.12.2020

Silicon oxynitride-based photoluminescent ceramic materials
Fotoluminescenčné keramické materiály na báze oxynitridov kremíka
Program: SRDA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation:The project is focused on the cost effective preparation of ternary silicon nitride an oxynitride based phosphors by reaction synthesis, carbothermal reduction and/or from siloxane-based polymer precursors. Among the ternary nitrides MgSiN2, LaSi3N5, ad YbSi3N5 will be studied, while the oxynitrides will be on the base of O-SiAlONs. The mains starting powders for ternary nitrides are metal silicides and Si3N4, while for oxynitrides polymer derived SiAlOC precursor. Except of known dopants for phosphors (Eu, Ce) another lanthanoid activator will be searched on the base of the first principle calculations. The influence of type, amount and valence of dopant on the colour and intensity of emitted light will be studied in details. The final valence of activator (e.g. Eu2+) will be controlled by the reaction conditions (temperature, reducing atmosphere, etc.) during preparation of phosphors. Finally, the excitation and emission spectra of prepared phosphors and their quantum efficiency will be characterised. Except of powder phosphors also thin layers will be prepared by HIP (Hot Isostatic Pressing) method.
Duration: 1.7.2015 - 30.6.2019

Functionalization of clay minerals using unconventional organic surfactants
Funkcionalizácia ílových minerálov netradičnými organickými surfaktantmi
Program: VEGA
Project leader: RNDr. Madejová Jana DrSc.
Annotation:This project represents a combined experimental and theoretical approach to the study of nanoparticles of smectites functionalized by non-traditional organic surfactants. It is focused on new types of materials modified with selected quaternary alkylphosphonium and alkylammonium surfactants and cationic polymers. The research is mainly aimed on the relationship between smectite composition, structure and resulting properties of prepared materials. A special attention is devoted to the effects of surfactant's ionic head-group type, molecule size, shape and polarity on the structural characteristics and surface activity of prepared organoclays. Complex characterization of structure and properties of prepared advanced materials will be obtained from X-ray diffraction, spectroscopic methods and quantum calculations by DTF (Density Functional Theory). Studied materials have application potential as fillers for polymer composites, carriers of photoactive molecules and metal nanoparticles active in catalysis.
Duration: 1.1.2017 - 31.12.2020

Ceramic materials for extreme operating conditions
Keramické materiály pre použitie v extrémnych podmienkach
Program: SRDA
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.7.2016 - 30.6.2020

Advanced composite coatings for high temperature corrosion protection of metals
Kompozitné vrstvy pre vysokoteplotnú protikoróznu ochranu kovov
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.7.2016 - 30.6.2020

Nanocomposite materials based on organo-phosphonium smectites and polymers
Nanokompozitné materiály na báze organo-fosfóniových smektitov a polymérov
Program: SRDA
Project leader: RNDr. Komadel Peter DrSc.
Annotation:Inorganic-organic composite materials are currently intensively studied systems, in particular in relation to the rapid development of new Technologies. The focus of the project is on the preparation and complex characterisation of new types of multicomponent systems based on clay minerals from the smectite group modified with alkylphosphonium surfactants. These materials have application potential in polymer composites and in optically active systems. The project will be focused on 1) synthesis of commercially unavailable alkylphosphonium sylts, 2) optimization of the procedure of their intercalation to smectites to achieve better properties in the interlayers compared to commercial alkylammonium organoclays, 3) preparation of complex systems of alkylphosphonium smectites and dyes of the photochemical and photophysical properties, which so far have not yet been studied and 4) testing of the synthetized alkylphosphonium organomontmorillonites as fillers in polymer matrices in order to take advantage of their properties to improve the thermal stability of composites, to reduce their flammability and to improve the barrier properties of packaging materials. A description of the structure and properties of the intercalates will be obtained by diffraction and spectroscopic methods and from quantum chemical calculations by means of DFT method in the solid state. It is expected that a comprehensive multidisciplinary approach, also thanks to the quality of the researchers and top/ranking instrumentation of both partners the objectives of the project will be met.
Duration: 1.7.2016 - 30.6.2020

New rare-earth aluminate-based inorganic phosphors for applications in white light emitting LEDs
Nové anorganické fosfory na báze hlinitanov vzácnych zemín pre aplikácie v LED diódach vyžarujúcich biele svetlo
Program: VEGA
Project leader: Ing. Klement Róbert PhD.
Annotation:The project deals with development of new glass and glass-ceramic luminescent materials based on Al2O3 and RE2O3 for applications in white light emitting LEDs, especially the materials with high emission in red spectral region with the aim of enhancing the CRI in comparison to the luminophors known today. New luminescent materials will be prepared in the form of microspheres. The undoped materials will be investigated, especially from the point of view of the structure of aluminate glasses in the system Al2O3-RE2O3 with the use of spectroscopic techniques, thermal properties, and crystallization kinetics. The conditions of crystallization of glasses will be optimised with the aim of preparation of glass-ceramics with requested properties. Photoluminescence properties of glass and glass ceramic materials doped with rare earth and transition metals ions will be studied in detail with the aim of enhancing the emission of the luminophors in red spectral region. Special attention will be paid to relations between the luminescent properties of prepared materials, their structure, and morphology.
Duration: 1.1.2014 - 31.12.2017

Prevention and eradication of microbial biofilms in relationship to nanomaterials
Prevencia a eradikácia mikrobiálnych biofilmov vo vzťahu k nanomateriálom
Program: SRDA
Project leader: doc. RNDr. Bujdák Juraj DrSc.
Duration: 1.7.2016 - 30.6.2020

Molten fluoride systems with higher functionality
Roztavené fluoridové systémy s vyššou funkcionalitou
Program: VEGA
Project leader: doc. Ing. Boča Miroslav DrSc.
Duration: 1.1.2016 - 31.12.2019

Ternary silicon nitride and oxynitride-based phosphors
Svetlo emitujúce luminofóry na báze ternárnych nitridov a oxynitridov kremíka
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation:The project is focused on the cost effective preparation of ternary silicon nitride and oxynitride based phosphors by reaction synthesis, carbothermal reduction and/or from siloxane-based polymer precursors. Among the ternary nitrides MgSiN2, LaSi3N5 and YbSi3N5 will be studied, while the oxynitrides will be on the base of O-SiAlONs. The main starting powders for ternary nitrides are metal silicides and Si3N4, while for oxynitrides polzmer derived SiAlOC precursor. Except of known dopants for phosphors (Eu, Ce) another lanthanoid activator will be seached on the base of the first principle calculations. The influence of type, amount and valence of dopant on the colour and intensity of emitted light will be studied in details. The final valence of activator (e.g. Eu2+) will be controlled by the reaction conditions (temperature, reducing atmosphere, etc.) during preparation of phosphors. Finally, the excitation and emission spectra of prepared phosphors and their quantum efficiency will be characterised.
Duration: 1.1.2014 - 31.12.2017

Structure abd properties of oxide glasses - thermodynamic models, entalpic and structural relaxation
Štruktúra a vlastnosti oxidových skiel - termodynamický model, entalpická a objemová relaxácia
Program: VEGA
Project leader: Ing. Chromčíková Mária PhD.
Annotation:Complex examination of the relations between the composition, structure and physical properties of glasses, containing network forming oxides, e.g. Al2O3, P2O5 or B2O3, which are present in the structure of the glass in form of coordination polyhedrons with various number of the oxygen atoms and bonded to the network in a different way. Indirect methods will include thermodynamic modelling based on the approach of Shakhmatkin and Vedishcheva. Thermodynamic models will be validated by quantitative interpretation of Raman spectra and will be applied for interpretation of experimentally acquired structure-property-composition relationships. The most important properties of selected glasses (density, viscosity, thermal expansion) and their temperature and compositional dependences will be determined experimentally. Attention will be devoted to the kinetics of the relaxation processes - volume and enthalpy relaxation in the glass transition temperature range.
Duration: 1.1.2016 - 31.12.2020

Transparent luminescent oxynitrides
Transparentné luminescentné oxinitridy
Program: SASPRO
Project leader: prof. RNDr. Šajgalík Pavol DrSc.
Duration: 1.1.2016 - 31.12.2018

Transparent polycrystalline ceramics materials with submicrone microstructure and with luminiscent properties
Transparentné polykryštalické keramické materiály so submikrónovou mikroštruktúrou a luminiscenčnými vlastnosťami
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2017 - 31.12.2020

High-temperature properties of materials corrosion in molten salts
Vlastnosti materiálov po vysokoteplotných koróziách v roztopených soliach
Program: SASPRO
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation:Study of the corrosion characteristics of the structural materials for handling high temperature molten salts is still of serious concern and importance. Even today the literature lack corrosion characterizations for molten salt systems studied above 850°C. Furthermore, the amount of materials tested and the variety of molten salts used, is also very limited. Our desire in this study is to test a spectrum of various alloys at around 800°C and more, in variety of molten salts environment. Looking at these needs, we believe that corrosion testing should include as many materials as possible that have been qualified by ASTM codes for use at the high temperatures envisioned. And therefore, we plan to investigate several high temperature alloys: nickel-based alloys HA230 and In625, Hastelloy-N, Hastelloy-X, Hastelloy-C276, Haynes-230, Haynes-242, Inconel-617, Inconel- 713C, Incoloy-800H, Udiment-720 and SiC-SiC composite in fluoride salts (FLiNaK), magnesium chloride salts (MgCl2-KCl), and nitrate salts (NaNO3-KNO3 [40–60 wt%], LiNO3-NaNO3-KNO3 [30–52–18 wt%]) at a high temperature range depending on the molten salt mixture. Our main objective is to understand corrosion rates of these alloys and materials exposed to the given salts for long durations (i.e., 100–1,000 hours) in a static system and semi-empirical predictions of the thermal-physical properties of the salts.
Duration: 5.11.2015 - 4.11.2018

The behaviour of new progressive construction materials in aggressive environment of molten salts
Vlastnosti nových progresívnych konštrukčných materiálov v agresívnom prostredí roztavených solí
Program: SRDA
Project leader: Ing. Šimko František PhD.
Duration: 1.7.2016 - 30.6.2020

Developing new theoretical tools for prediction and interpretation of EPR and NMR parameters
Vývoj nových teoretických nástrojov pre predikciu a interpretáciu EPR a NMR parametrov
Program: SRDA
Project leader: Dr. Malkin Vladimír DrSc.
Duration: 1.7.2016 - 30.6.2020

Development of advanced tools for calculation and interpretation of NMR and EPR spectra of heavy element compounds
Vývoj pokročilých nástrojov na výpočet a interepretáciu NMR a EPR spektier systémov ťažkých prvkov
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Annotation:The current project is based on methods and programs for quantum-chemical prediction and interpretation of NMR and EPR parameters previously developed by our group. In this project we plan to develop and implement new 2-component relativistic DFT methods for calculation of NMR and EPR parameters within the X2C approach. We expect that the new methods will be several times faster fully relativistic 4-component methods. The second objective is to extend the existing set of advanced theoretical tools for analysis and interpretation of NMR and EPR parameters of heavy-element compounds. In particular, we plan to transfer our old developments from old codes to the new ReSpect program and wherever possible to generalize them to 2- and 4-component levels. Finally we plan to apply the newly developed methods and programs to study heavy-element compounds in collaboration with our foreign partners.
Duration: 1.1.2017 - 31.12.2020

Assessment of secondary raw materials for the preparation of materials used in extreme conditions
Zhodnotenie druhotných surovín pre materiály s využitím v extrémnych podmienkach
Program: SRDA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Duration: 1.7.2016 - 30.6.2020

Improvement of functional properties of ceramic materials with the addition of carbon nano-tubes and graphene
Zlepšenie funkčných vlastností keramických materiálov prídavkom uhlíkových nanorúrok a grafénu
Program: VEGA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation:Project deals with the development of materials on a base of silicon nitride and silicon carbide with the addition of carbon nano-tubes CNT and graphene. The goal of the project is to increase the functional properties of composite while the mechanical properties remain on the same level. Catalyst chemical vapour deposition (CCVD) will be employed in order to homogenously incorporate the CNTs into SiC and Si3N4 matrix in desired amount. Up to now only few CNTs weight % were successfully distributed within ceramic powder, which is the main problem in preparation of such a composite. Distribution of graphene nano-platelets in ceramic powder mixtures will be realized by attritor milling. Characterization of the relation between the way of composites preparation and their physicochemical, mechanical and functional properties will be established.
Duration: 1.1.2014 - 31.12.2017

Moving relativistic quantum chemistry out of the shadow: Relativistic paramagnetic NMR
Zviditeľniť relativistickú kvantovú chémiu: Relativistické paramagnetické NMR
Program: SASPRO
Project leader: Dr. Malkin Vladimír DrSc.
Duration: 1.10.2016 - 31.12.2018

The total number of projects: 22