Projects

International

SCALP – Percepcia spinovej interakcie na pokročilej úrovni
Spin Coupling Advanced Level Perception
Program: Bilateral – other
Project leader: Dr. Malkin Oľga DrSc.
Annotation: The objective of the project is to extend the current perception and understanding of nuclear spin coupling as one the essential NMR parameters for characterization of molecules using experimental polyphosphine models (Dijon, France) and advanced theoretical tools (Bratislava, Slovakia). Therefore, new spin coupling pathways will be discovered and explored, thus possibly extended to other classes of molecules.This project is expected to have a great impact on the application of the Nuclear Magnetic Resonance (NMR) methods in general and for their application to metal-catalyzed organic synthesis.
Duration: 1.2.2020 – 31.12.2021
Štruktúry a biokompozity pre regeneráciu tkanív
Scaffolds and biocomposites for tissue regeneration
Program: Bilateral – other
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2019 – 31.12.2021
CERANEA – Multifunkčné hrubé povlaky keramik-grafén pre perspektívne aplikácie
Multifunctional ceramic/graphene thick coatings for new emerging applications
Program: ERANET
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Duration: 1.1.2018 – 31.12.2020
Vysokoteplotné karbidy pre aplikácie v extrémnych podmienkach
(Ultra-high temperature carbides for extreme environment applications
Program: Bilateral – other
Project leader: Ing. Tatarko Peter PhD.
Duration: 1.1.2019 – 31.12.2020
Vývoj nových pokročilých keramických kompozitov pre vesmírne aplikácie
Development of new advanced ceramic composites for aerospace industry
Program: Inter-academic agreement
Project leader: Ing. Tatarko Peter PhD.
Annotation: The main aim of the project is to strengthen the collaboration between two principal investigators in the field of the development of ultra-high temperature ceramics. This collaboration will lead to understanding of the influence of different rare-earth additives on the densification and mechanical properties of new ultra-high temperature ceramics. A purpose of the project is to enable the utilization of the laboratory equipmentfor the researchers from both partner groups. The project will contribute to the development of collaboration between young researchers. A difference between the researchorientations of the individual group is very promising for the innovative solutions of scientific problems. Mutual project represents a synergy in the activities of both institutions leading to an optimal utilization of the capacity of both partners. In addition, the exchange of “know-how” in the investigated area of material research will ensure the improved quality of the outputs of the project and the enhanced qualification of young researchers and PhD students.
Duration: 1.1.2018 – 31.12.2020
UltraCom – Vývoj nových vysokoteplotných kompozitných materiálov s keramickou matricou so zvýšenou oxidačnou/ablačnou odolnosťou pre vesmírne aplikácie
Development of new ultra-high temperature ceramic matrix composites with improved oxidatio/ablation properties for aerospace industry
Program: Bilateral – other
Project leader: Ing. Tatarko Peter PhD.
Annotation: The use of a new type of additives, combined with the use of new processing routes, opens up the possibility of developing new ultra-high temperature ceramic matrix composites (UHTCMC) with potentially improved oxidation and ablation properties. This multidisciplinary industrially oriented research proposal brings together very timely and highly original fundamental research with a commercial potential for aerospace applications, aimed at improving the lifetime and reliability of ceramics performing in extreme conditions. The ultimate aim of the project is to develop new ultra-high temperature ceramic coatings (UHTC) for ceramic matrix composites (CMC), such as Cf/SiC, SiCf/SiC and Cf/C using an innovative approach. It is expected that final materials (the combination of UHTC with CMC -UHTCMCs) will possess the significantly improved ultra-high temperature properties and long-term (up to several hours) thermo-chemical resistance. This will bring new knowledge in the fundamental research in the field and fulfil a commercial potential of these materials to be applied as Thermal Protection Systems of hypersonic and atmospheric re-entry vehicles, as well as different parts of different propulsion systems.
Duration: 1.11.2017 – 31.10.2020

National

BioPolSil – Bionanokompozitné materiály na báze vrstevnatých silikátov
Bionanocomposites based on organic polycations and layered silicates
Program: SRDA
Project leader: RNDr. Madejová Jana DrSc.
Annotation: The basic research project deals with the preparation and complex characterisation of the structurally unique typesof hybrid materials consisting of clay minerals from smectite group and new synthesized poly(ethylene imine)based polycations. Polymerization of oxazolines opens a wide range of possibilities for the preparation of welldefinedpolycations with precisely designed molecular architectures and properties in order to prepare suitableintercalating agents for clay minerals modifications. The aim is to provide nanocomposites with interestingbiocompatible or biodegradable properties. To achieve this aim a detailed investigation of the effect of variousfactors on the molecular characteristics of poly(ethylene imine) based polycations and consequently on theirbehavior upon smectites interlayers intercalation has to be performed using wide range of different experimentaltechnique (e.g., XRD, XPS, MAS NMR, and IR spectroscopies) but also by means of DFT method in the solidstate.Biocompatibility of prepared polycations and their smectite intercalates will be assed based on cell viability assayand cell morphology after direct contact with selected substances. Prepared polycationic-smectites will be furtherstudied due to their possible applications as new types of fillers for selected biodegradable polymers, drug-deliverysystems and as new composite materials with optical properties. Interdisciplinary project, as designed, providesunique platform for understanding the properties of the newly synthesized polycation-smectite composites. This approach can significantly contribute to the current level of knowledge in the fields of nanomaterials and has the potential for acquiring fundamentally new results.
Duration: 1.7.2020 – 30.6.2024
RARE – Interakcia fluoridových taveninových systémov prvkov vzácnych zemín s oxidmi kritických prvkov v kontexte špeciálnych aplikácií
Interaction of fluoride melts of rare earth elements with oxides of critical elements in the context of special applications
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The aim of the research activities of this project is to study the interaction of molten fluorides of selected elements from the group of critical raw materials (defined by the European Raw Materials Initiative) with their oxides, while the systems are consisting of: . "solvents" which may be considered to be some binary fluoride MF or NF2 (M = Li, Na or K; N = Mg or Ca) or selected eutectic mixtures thereof (e.g. (LiF-NaF-KF)eut = FLiNaK, (LiF-CaF2)eut or (NaF-MgF2)eut), . Ln2O3 metal oxides (Ln = La, Ce, Sm, Eu, Nd, Gd), or transition metal oxides used in superalloys (e.g. Cr2O3, Fe2O3, NiO, ZrO2, Nb2O5, Ta2O5), . and the corresponding metal fluorides of the point above (LnF3, MetFx; x = 2-5). Such systems are currently in use or are being developed for their use in key industries such as metal production, energy applications or corrosion protection. The scientific activities of these systems deals with physico-chemical and thermo-chemical analysis of the systems in molten state (in situ), spectral and diffraction analysis of formed phases. The selection of used methods follows the above aims: thermal analysis, density, viscosity, surface tension, wetting and electrical conductivity measurements for the description of physico-chemical properties; simultaneous thermal analysis (TA/DTA/DSC) for the description of thermo-chemical properties and for the description of spectral and diffraction properties the following methods will be used: XRD, XSC, XRF, XPS, IR, NMR. The integral part of the project is the study of corrosion resistance of different construction under interaction with studied melts.
Duration: 1.7.2020 – 30.6.2024
DKS-pNMR – Vývoj nástrojov pre pokročilú analýzu a predikciu parametrov spektier EPR, NMR a pNMR komplexných systémov obsahujúcich ťažké prvky
Development of tools for advanced analysis and prediction of parameters of EPR, NMR and pNMR spectra of complex systems containing heavy elements
Program: SRDA
Project leader: Dr. Malkin Oľga DrSc.
Annotation: The project is oriented to the development and implementation of new computational tools for advanced prediction and analysis of parameters of EPR, NMR and pNMR spectra of complex systems containing heavy elements with the stress on systems possessing low-lying excited states. Low-lying excited states strongly affect EPR and pNMR parameters and they must be taken into account for accurate prediction of these parameters. The calculation and interpretation of properties of low-lying excited states requires a more advanced methodology than the calculation of ground state properties. Nowadays one of the best approaches for treating excited states of large systems is the time-dependent DFT method (TDDFT). Recently our group implemented relativistic four-component and twocomponent TDDFT methods and made some preliminary steps towards calculations of EPR properties for the excited states. In this project we plan to further develop the TDDFT methodology in order to improve the accuracy of the predicted pNMR parameters for systems with low-lying excited states. We also plan to develop and implement new tools for better interpretation of EPR, NMR and pNMR parameters for heavy-element compounds. Finally the developed methods would be applied for systems of real chemical interest in collaboration with our foreign partners from experimental groups.
Duration: 1.7.2020 – 30.6.2024
Fázové premeny oxidov kovov v roztavených fluoridových systémoch
Phase changes of metal oxides in fluoride melts
Program: SRDA
Project leader: doc. Ing. Boča Miroslav DrSc.
Annotation: The project is oriented to the study of dissolution of rare earth metal oxides and metal oxides of elements used in superalloys used in molten fluorides application of the type MF or NF2 (M=Li, Na and K; N=Mg and Ca). The aim is to find an appropriate electrolyte with the maximal metal oxide solubility for electrolytic metal production as well as to find the system with the minimal metal oxide solubility due to the corrosion protection of alloys used as construction materials. Integral part of this research is the formulation of a model for metal oxide dissolution in fluoride melts as well as the analysis of physico-chemical properties (density, viscosity, surface tension, electricalconductivity) and thermochemical properties (phase diagrams, and thermochemical characteristics) of the melts.Analysis of the solidified melts will be done based on spectral and diffraction methods. The selection of studied systems is done based on the context of e.g. transparent ceramic or phase change materials applications.
Duration: 1.1.2020 – 31.12.2023
PolyNanoPhoto – Povrchy polymérov modifikované vrstevnatými nanočasticami a fotoaktívnymi farbivami
Polymer surfaces modified with layered nanoparticles and photoactive dyes
Program: SRDA
Project leader: Ing. Pálková Helena PhD.
Annotation: The project is an interdisciplinary basic research on nanocomposites of technically used polymers whosefunctionality depends on the properties of the organic dyes present. The aim will be to provide nanocompositeswith an increased particle concentration on the surface of the polymer. The particles must be pretreated withorganic surfactants prior to the synthesis of nanocomposites to achieve compatibility with the polymer, which willbe one of the main tasks of the project. In the next step, the modified particles will be functionalized with dyemolecules and used to prepare nanocomposite. The surface functionality will be achieved by suitably selecteddyes with interesting photophysical and photochemical properties. The goal will be to obtain surfaces which areattractive in terms of possible applications such as photosensitizing and photo-disinfecting properties,luminescent surfaces, systems capable of intermolecular light energy resonance transfer, etc. The selection ofthe dyes used will be directed to both to commercially available laser dyes and to photosensitizers mainly fromthe xanthene and thiazine dye groups, as well as to newly prepared fluorescent dyes.
Duration: 1.7.2019 – 30.6.2023
CEMEA – Vybudovanie centra pre využitie pokročilých materiálov SAV
Building a centre for advanced material application SAS
Program: Štrukturálne fondy EÚ Výskum a inovácie
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation: Predkladaný projekt je komplementárny k projektu v rámci programu H2020 WIDESPREAD-1-2014-Teaming – Building-up Centre of Excellence for advancedmaterials application CEMEA, No. 664337, ktorý získal Seal of excellence a odporúčanie pre národné financovanie. Miesto realizácie projektu je Bratislavský kraj.Cieľom projektu je etablovať v SAV organizáciu Centrum pre využitie pokročilých materiálov SAV, centrum špičkového nezávislého výskumu so zameraním namodifikáciu povrchov a rozhraní pre nové funkcionality štruktúr a prvkov v oblasti pokročilých (nano)materiálov, udržateľnej energie a biomedicíny. Ide o výskumnových nízkorozmerných (LD) nanomateriálov, nových kompozitov a vrstvových štruktúr so zlepšenými alebo novými vlastnosťami zaujímavými pre aplikácie.Výskumná téma pokrýva 6 oblastí výskumu – podaktivít projektu. Projekt podporuje okrem žiadateľa SAV, 7 výskumných inštitúcií (ElU SAV, FU SAV, UPo SAV,UMMS SAV, UACH SAV, BMC SAV a CEMEA SAV).Merateľné ukazovatele: 48 publikácií, 40 tis.EUR podpora registrácie práv duševného vlastníctva, 22 mil. EUR podpora na rekonštrukciu a modernizáciu zariadeníVI, 390 tis.EUR komplementárne financovanie H2020, 30 pozícií pre nových výskumníkov a 10 podporených účastí zahraničných expertov, 3 podané patentovéprihlášky.
Project webpage: http://www.cemea.sav.sk/
Duration: 1.7.2019 – 30.6.2023
Porozumenie mechanizmu interakcií znečisťujúcich látok adsorbovaných na povrchu aluminosilikátových štruktúr
Insight into the mechanism of interactions of pollutants adsorbed on the surface of aluminosilicate structures
Program: VEGA
Project leader: Ing. Scholtzová Eva CSc.
Annotation: Proposed project presents a combined theoretical and experimental research of surface complexes formed by selected pollutants (oxyanions, herbicides, medicaments) on layered aluminosilicates (LAS) and aluminosilicate nanotubes (ASN). The pollutants can be strongly dismantled by adsorption on aluminosilicates, e.g. from polluted water. The study of these surface complexes will be focused on the detailed (molecular scale) description and understanding of the interactions responsible for the formation and stability of the complexes. Further, the effect of solvent on the stability of the complexes will be investigated as well. Molecular modelling approach, mainly based on the density functional theory (DFT) will bring a new knowledge about structure and properties of LAS/ASN surfaces and their ability to form stable complexes with pollutants. The results from experiments will be also interpreted by help of the modelling outputs to get a complex characterization of the pollutant-aluminosilicate complexes.
Duration: 1.1.2019 – 31.12.2022
BioSurf – Vývoj bioaktívneho nitridu kremičitého modifikáciou povrchovej vrstvy
Development of the bioactive silicon nitride by surface modification
Program: SRDA
Project leader: Mgr. Tatarková Monika PhD.
Duration: 1.7.2019 – 31.12.2022
WLEDMAT – Nové sklenené a sklokeramické fosfory na báze hlinitanov vzácnych zemín pre aplikácie v pevnolátkových energiu šetriacich svetelných zdrojoch vyžarujúcich biele svetlo (pc-ELED diódy)
Novel glass and glass-ceramic rare-earth aluminates-based phosphors for energy-savin solid state lighting sources emitting while light (pc-WLEDs)
Program: SRDA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation: The project is focused on research and development of novel glass and glass-ceramic rare-earth aluminates-based luminescent materials for white light-emitting diodes (pc-WLED), especially materials with efficient red emission, which could improve CRI index compared to the known commercially produced phosphors. Phosphors will be prepared in the form of glass microbeads. The structure of un-doped alumninate glasses in the system Al2O3-RE2O3 will be studied by spectroscopic methods. Thermal properties and kinetics of crystallization will be also studied. In order to preparer glass-ceramics materials with required properties, the conditions of crystallization process will be investigated and optimized. Photoluminescence properties of glass and glass-ceramic rare-earth and transition metal ions doped materials will be studied in detail. Special attention will be paid to study of relations between luminescent properties of materials and their structure and morphology. In final stage of the project, the composite PiG materials (Phosphor in Glass) will be prepared and characterized as thin plates suitable for direct application onto excitation LED chip. A LED diode emitting white light/warm white light will be contracted using the LED chip with suitable excitation wavelength in the NUV spectral range and prepared PiG composite with optimised thickness, so that optimal emission characteristic will be achieved.
Duration: 1.8.2018 – 31.7.2022
PyrMat – Vývoj žiaruvzdorných pyrochlórnych fáz pre vysokoteplotné aplikácie neoxidovej keramiky
Development of refractory pyrochlore phases for high temperature applications of non-oxide ceramics
Program: SRDA
Project leader: Ing. Tatarko Peter PhD.
Annotation: The project proposes a new and innovative approach to develop diboride ceramics. This will be achieved by the incorporation of a new style of additives, rare earth elements, into the transition metal diboride ceramics that would form refractory pyrochlore phases in the oxide layer during the exposure of the materials in oxidizing environments at very high temperatures. The project relies on the fact that the presence of the pyrochlore phases will increase immiscibility and viscosity of the in-situ formed glass layer during oxidation. This, along with the refractory nature of the pyrochlore phases, will stabilise the oxide layer and significantly reduce the oxidation kinetics. By performing a systematic study, the project will acquire new knowledge on the influence of different types and amounts of rare earth additives on the densification, microstructure and phase evolution, and mechanical properties of ceramic materials for thermal protection systems and other applications in aerospace industry. The ultimate aim of the project is to develop a new diboride ceramics with significantly improved oxidation and ablation resistance due to a unique material composition. The output of the project will be a clarification of the formation of pyrochlore phases, their distribution in the final oxide layer, and at the end their effect on the high temperature properties.
Duration: 1.8.2018 – 30.6.2022
Fluoridové taveninové systémy s potenciálom využitia v elektrochemickej výrobe hliníka
Fluoride melts with potential applications in electrochemical aluminum production
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation: Predkladaný projekt je zameraný na fázovú a štruktúrnu analýzu systémov MF-AlF3 (M = Na, K a Rb) sprídavkom Al2O3, s potenciálom využitia pri elektrochemickej výrobe hliníka. Ide o tzv. nízko teplotné elektrolyty,ktorých výskum v poslednej dobe vzrástol s vývojom tzv. „inertných“ elektród, aplikovateľných do procesuvýroby. Cieľom projektu bude definovať fázové zloženie systémov a identifikovať jednotlivé zložky. Tie budúpodrobené štúdiu tepelnej stability, spektrálnej a difrakčnej charakterizácii s cieľom zistiť závislosť medzištruktúrnymi parametrami (ako napr. polomerov M+ alebo spôsobu usporiadania polyédrov v štruktúre) avlastnosťami študovaných zložiek (napr. počtom a charakterom fázových prechodov). Využije samultidisciplinárny prístup, ktorý bude zahrňovať použitie difrakčných a spektrálnych metód priamo in-situ vroztavenom stave, v spojení s ex-post analýzou zatuhnutých vzoriek.
Duration: 1.1.2018 – 31.12.2021
Fotoluminiscenčné transparentné keramické materiály na báze oxinitridov
Photoluminescent transparent oxynitride-based ceramics
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation: The aim of the project is to develop effective processing of optically transparent polycrystalline ceramics in the Mg-Si-Al-O-N, namely based on MgAlON spinel and silicon oxynitride (o’-sialon) ceramics from crystallinepowders and metal-organic polymer precursors. A defects-free processing methodology from starting powders to final materials will be investigated. The project is targeting on evaluation and elimination of material flaws duringthe processing of transparent materials throughout: (1) selection of starting powders with appropriate particlesizes, (2) preparation of stable dispersed ceramic suspensions, (3) using efficient wet powder compactionmethods, (4) improving the homogeneity of green samples, (5) optimization of sintering conditions and (6) qualityof surface finishing in sintered materials. The effect of rare-earth and/or transition metal oxides and fluoridesdoping on both sintering and optical properties (transparency, photoluminescence) of ceramic materials will be studied.
Duration: 1.1.2018 – 31.12.2021
Korózia a zvetrávanie úžitkových skiel
Corrosion and weathering of tablewareglass
Program: VEGA
Project leader: doc. Ing. Chromčíková Mária PhD.
Duration: 1.1.2018 – 31.12.2021
Nové anorganické fosfory na báze stechiometrických hlinitanov a kremičitanov s dlhodobou svetelnou emisiou pre optické a biomedicínske aplikácie
Nové anorganické fosfory na báze stechiometrických hlinitanov a kremičitanov s dlhodobou svetelnou emisiou pre optické a biomedicínske aplikácie
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2018 – 31.12.2021
Príprava a charakterizácia granúl / mikroguličiek na báze nitridu kremičitého pre bioaplikácie
Preparation and characterization granuls/microspheres based on silicon nitride for bioapplications
Program: VEGA
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation: The use of silicon nitride in bio-applications is timely and very prospective topic especially in last five years and there are some studies which confirmed the possibility of using silicon nitride as human bone implants. Proposed project will be concerned with preparation and characterization of porous granules and microspheres with mean diameter above 0.3 mm and below 100 m, respectively, in the system silicon nitride/bioactive additives, e.g. hydroxyapatite, tricalcium phosphate and bioglass.Granules will be prepared using freeze granulation technique by spraying appropriate suspension into the liquid nitrogen, subsequent lyophilisation and sintering of obtained granulate. Hydroxyapatite as bioactive aid will be infiltrated into the porous granules in the form of sol, dried and thermally treated to crystalline form. Mechanical properties and biological response of as prepared composites will be studied in detail.Microspheres with various contents of bioactive aids will be prepared using flame synthesis. Influence of addition of bioactive species will be studied with respect to the phase and chemical composition as well as processing results (size, porosity, etc.) and biological response of microspheres.Goal of proposed project is to study the applicability of such structures made of so-called advanced ceramics – silicon nitride – in various bioapplications. Within the project an attention will be paid to increasing of mechanical properties of calcium-phosphate cements by incorporation of silicon nitride spheres; influence on setting time, resorbability and biological response of cement/ceramic composites will be a topic. The usability of granules or microspheres for fabrication of 3D trabecular structures with appropriate strength and porosities will be verified.
Duration: 1.1.2018 – 31.12.2021
Fotoaktívne hybridné materiály
Photoactive hybrid materials
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
Funkcionalizácia ílových minerálov netradičnými organickými surfaktantmi
Functionalization of clay minerals using unconventional organic surfactants
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
nanomat – Nanokompozitné materiály na báze organo-fosfóniových smektitov a polymérov
Nanocomposite materials based on organo-phosphonium smectites and polymers
Program: SRDA
Project leader: Mgr. Jankovič Ľuboš PhD.
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 – 31.12.2020
BiofNano – Prevencia a eradikácia mikrobiálnych biofilmov vo vzťahu k nanomateriálom
Prevention and eradication of microbial biofilms in relationship to nanomaterials
Program: SRDA
Project leader: prof. RNDr. Bujdák Juraj DrSc.
Duration: 1.7.2016 – 31.12.2020
Štruktúra a vlastnosti oxidových skiel – termodynamický model, entalpická a objemová relaxácia
Structure abd properties of oxide glasses – thermodynamic models, entalpic and structural relaxation
Program: VEGA
Project leader: doc. 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
Transparentné polykryštalické keramické materiály so submikrónovou mikroštruktúrou a luminiscenčnými vlastnosťami
Transparent polycrystalline ceramics materials with submicrone microstructure and with luminiscent properties
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Duration: 1.1.2017 – 31.12.2020
Vývoj pokročilých nástrojov na výpočet a interepretáciu NMR a EPR spektier systémov ťažkých prvkov
Development of advanced tools for calculation and interpretation of NMR and EPR spectra of heavy element compounds
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