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Project

Institute of Inorganic Chemistry

International Projects

AtomDeC - Atomic Design of Carbon-Based Materials for New Normal Society

Atómová koncepcia materiálov na báze uhlíka pre novú normálnu spoločnosť

Duration: 1. 11. 2021 - 30. 10. 2024
Evidence number:V4-Japan Joint Research Program
Program: Multilaterálne - iné
Project leader: Ing. Scholtzová Eva CSc.
Annotation:The expression “New Normal'' has been used for marking economic/societal goals after the 2008 financial crisis. Nowadays, this term is used for emerging lifestyles at the end of the COVID19 pandemic. Our proposed work relates to the “New Normal Society” by means of contributing to the creation of an upgraded, human-centred society (Japanese “Society 5.0”), where new technologies serve sustainable developments, mitigate the threat of future pandemics, and are devoted to human welfare. We aim to contribute to the worldwide target via the development of advanced carbon-based materials (CBMs). CBMs are key in everyday applications and devices: batteries, power generators, energy converters, mobile devices, structural materials, environmental filters, health care, and medical products. The Consortium is formed from representatives of three continents: each V4 country, Japan, and Canada. Our collective scientific power is focused on advanced CBM target materials by adhering to the concept of “atomic design”, which has been challenging to achieve for C-materials with disordered/amorphous framework. Our integrated work packages will be executed by experts in synthesis, analysis, and theory giving credibility to the deployment of the concept of "atomic design" for CBMs. The Consortium directly addresses the Joint Call for developing advanced materials for extreme environments, electronics and energy harvesting, such as gas storage, flexible electrode/supercapacitors/conductive thin-layers, microelectronics, and optically active materials with high voltage/structure stability. The unique mechanical properties of porous CBMs and our combined engineering expertise allow for targeting COVID19-related material design, such as anti-virus filters.

EU-MACE - European Materials Acceleration Center for Energy

European Materials Acceleration Center for Energy

Duration: 3. 10. 2023 - 2. 10. 2027
Evidence number:A22123
Program: COST
Project leader: Ing. Tatarko Peter PhD.
Annotation:Materials have played a decisive role in nearly all rupture technologies in the industrial history of our society. Faced with the current climate, geopolitical and humanitarian crisis, many international and regional entities (political, industrial and scientific alike) recognize the importance of a strong materials innovation ecosystem for driving the clean energy transition. In response, self-driving laboratories (SDL) (a.k.a. MAPs – materials acceleration platforms) are created at institutional, regional and international levels. SDLs integrate combinatorial synthesis, high-throughput characterization, automated analysis and machine learning for fast-track discovery and optimization of advanced materials. While these platforms are proving their effectiveness in producing advanced materials with targeted functionalities and physical properties, a large margin of improvement still exists. Streamlining materials integration into components and to safe and sustainable products is one example challenge in order to enable rupture technology. Another challenge is that of geographical concentration of MAPs that practically excludes a substantial fraction of research labs and tech-companies in Europe from contributing and benefiting from such platforms. Finally, next generation material science researchers need to develop new skills to be able to integrate such systemic and automated approach into their future R&D framework. To this end, EU-MACE will become an ecosystem for accelerated materials development at the user end, gathering researchers and stakeholders with state-of-the-art digital and material competences combined with the market/social pull. Our inclusive & systemic approach will lay the foundation for a future centre of excellence for advanced functional materials to assist transition toward a united and stronger EU.

New type of cesium fluoro-, oxo-, and oxo-fluoro-aluminate complexes: stability, dynamics and structural characterization

New type of cesium fluoro-, oxo-, and oxo-fluoro-aluminate complexes: stability, dynamics and structural characterization

Duration: 1. 9. 2022 - 30. 6. 2024
Evidence number:101008500
Program: Bilaterálne - iné
Project leader: Ing. Šimko František PhD.

Novel Ultra-High Temperature Ceramic Matrix Cpmposites for Application in Harsh Aerospace Environments

Novel Ultra-High Temperature Ceramic Matrix Cpmposites for Application in Harsh Aerospace Environments

Duration: 1. 1. 2024 - 31. 12. 2026
Evidence number:JRP SAV-TUBITAK 720464
Program: JRP
Project leader: Ing. Tatarko Peter PhD.

SIMBA - Sodium-Ion and sodium Metal Batteries for efficient and sustainable next-generation energy storage

Sodík-iónové a sodík-kovové batérie novej generácie pre efektívne a udržateľné uskladnenie energie

Duration: 1. 1. 2021 - 31. 12. 2024
Evidence number:963542
Program: Horizont 2020
Project leader: doc. Ing. Lenčéš Zoltán PhD.
Annotation:Institute of Inorganic Chemistry, Slovak Academy of Sciences is participating in the SIMBA project “Sodium-Ion and sodium Metal BAtteries for efficient and sustainable next-generation energy storage” under the grant agreement 963542 has started on the 1st of January 2021. The Kick-off meeting took place online and headstarted a highly ambitious project to develop sustainable and safe batteries to store renewable energy. The SIMBA project has the concrete goal of delivering a safe and low-cost all-solid-state-sodium battery technology for stationary application. Reducing the use of critical materials is the core of SIMBA, which will employ sustainable battery materials, reducing supply risks and restrictions and environmental impact, which are instead currently affecting other technologies, i.e. Lithium-ion batteries. The unprecedented concept of SIMBA is based on the integration of a sodium metal anode in a sodium free assembly architecture including a highly porous support on the anode side, a single-ion conductive composite/hybrid polymer electrolyte and an innovative cathode material. SIMBA gathers a consortium of 16 partners from 6 EU and associated countries having received a funding from the European Commission of 8M €. For more information, please contact the coordinator of the project, Prof. Ralf Riedel: ralf.riedel@tu-darmstadt.de This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement Nº 963542

BioSurf - Transforming bioinert to bioactive through surface engineering

Transformácia bioinertného na bioaktívne prostredníctvom povrchového inžinierstva

Duration: 1. 1. 2023 - 31. 12. 2025
Program: JRP
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation:Cieľom navrhovaného projektu je vyvinúť sklo/keramický implantát s vysokou pevnosťou a bioaktivitou. Na dosiahnutie hlavného cieľa bude potrebné vyriešiť nasledujúce úlohy: a) modifikácia povrchu implantátu úpravou studenou plazmou s cieľom zabezpečiť dostatočnú adhéziu bioaktívnych povlakov na bioinertný keramický (ZrO2) substrát. b) príprava viacvrstvových povlakov z bioaktívnej keramiky na báze hydroxyapatitu (HA) a/alebo síranu vápenatého (CaSO4), ktoré pozostávajú z rozpustnej vrchnej vrstvy a z medzivrstvy (medzivrstiev) bioaktívnej keramiky zabezpečujúcej pevnú väzbu so substrátom. c) príprava povlakov z mezopórovitých bioaktívnych sklenených častíc pripravených pomocou sol-gélu, ktoré sú dopované rôznymi terapeutickými anorganickými iónmi, ktoré by vyvolali bioreakciu okolitého tkaniva. d) hodnotenie biologickej účinnosti povlakov testovaním in vitro životaschopnosti buniek, bioaktivity a mechanických vlastností (pevnosť priľnavosti, odolnosť proti opotrebovaniu) povlakovaných implantátov.

JoinHEC - Development of new joining methods for high entropy ceramics

Vývoj nových metód spájania vysoko-entropických keramických materiálov

Duration: 1. 7. 2022 - 30. 6. 2025
Evidence number:APVV-SK-CZ-RD-21-0089
Program: Bilaterálne - iné
Project leader: Ing. Tatarko Peter PhD.
Annotation:The main aim of the proposed project is to develop new joining techniques for high entropy ceramics (HEC) in order to improve the operational limits of the joints for aerospace applications. The project proposes an innovative way of manufacturing of HEC joints with potentially improved high temperature properties, using a direct solid-state diffusion bonding (without an interlayer) or diffusion bonding with refractory metal interlayers. For the first time, refractory high entropy alloys (HEA) will be used as the joining interlayers between a pair of HEC, or as the interlayer for joining of HEC to ceramic matrix composites (CMCs). The project aims to generate new fundamental knowledge on the understanding of the effect of electric field and surface preparation on the direct diffusion bonding of HEC, as well as the interfacial physico-chemical phenomena occurring at the HEC/HEA and HEA/CMCs interfaces. The mechanical performance of the joints at room and high temperatures will be investigated to define the operational limits of the joints. The project will provide a comprehensive insight on the joining of high entropy ceramics for potential aerospace applications. This may significantly expand the application potential of the recently developed next generation ultra-high temperature ceramics, i.e. high entropy ceramics.

National Projects

Carbon-silicon based composite anodes for Li-ion batteries

Anódy pre Li-iónové batérie na báze uhlík-kremíkových kompozitov

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APPV-19-0461
Program: APVV
Project leader: doc. Ing. Lenčéš Zoltán PhD.

BENTONITE - GAP - Bentonite: Slovak strategic raw material - Innovative assessment of bentonite quality and origin for its efficient use

Bentonit: strategická surovina Slovenska - inovatívne hodnotenie zdrojov a ich kvality pre jej efektívne využívanie

Duration: 1. 1. 2021 - 30. 6. 2025
Evidence number:APVV-20-0175
Program: APVV
Project leader: RNDr. Madejová Jana DrSc.
Annotation:Bentonite is an important industrial raw material. Due to the high amount of clay minerals from the smectite group, bentonite has unique properties, e.g. high swelling capacity, plasticity, high specific surface area, cation exchange capacity and low hydraulic conductivity. Due to these properties bentonites have broad range of possible applications. Consequently, worldwide bentonite production is constantly increasing. Slovak republic (SR) is one of the world's leading bentonite producers and bentonites belong to the strategic raw materials in SR. In the last 10-15 years, several new bentonite deposits have been opened in SR, most of which have never been studied in detail. Which is one of the causes that the potential of Slovak bentonites is not fully utilized. One of the objectives of the project is therefore the comprehensive characterization of bentonites from new deposits. The mineral and chemical composition of bentonites, their physico-chemical, mechanical, and rheological properties will be determined. The obtained results will help to better understand the geology and genesis of bentonite deposits which may lead to the discovery of other economic accumulations of bentonites. The main contribution of the project lies in the rational, economical, and efficient use of domestic raw materials which will lead to the long-term sustainability of bentonite exploitation in SR. The way in which the proposed changes will be implemented is highly innovative. The main application outputs of the project such as: passports for the optimal utilization of different qualitative types of bentonites, including economic analysis, 3D model of bentonite quality and geological model of selected bentonite deposit, will contribute to achieve this ambitious goal. The multidisciplinary team of experts on domestic and world bentonites in cooperation with major bentonite producer in SR, REGOS, s.r.o. is guarantee of successful solution of the proposed project.

BioPolSil - Bionanocomposites based on organic polycations and layered silicates

Bionanokompozitné materiály na báze vrstevnatých silikátov

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APVV-19-0487
Program: APVV
Project leader: RNDr. Madejová Jana DrSc.
Annotation:The basic research project deals with the preparation and complex characterisation of the structurally unique types of 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 welldefined polycations with precisely designed molecular architectures and properties in order to prepare suitable intercalating agents for clay minerals modifications. The aim is to provide nanocomposites with interesting biocompatible or biodegradable properties. To achieve this aim a detailed investigation of the effect of various factors on the molecular characteristics of poly(ethylene imine) based polycations and consequently on their behavior upon smectites interlayers intercalation has to be performed using wide range of different experimental technique (e.g., XRD, XPS, MAS NMR, and IR spectroscopies) but also by means of DFT method in the solid state. Biocompatibility of prepared polycations and their smectite intercalates will be assed based on cell viability assay and cell morphology after direct contact with selected substances. Prepared polycationic-smectites will be further studied due to their possible applications as new types of fillers for selected biodegradable polymers, drug-delivery systems and as new composite materials with optical properties. Interdisciplinary project, as designed, provides unique 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.

Electromagnetic shielding properties of functionally graded layered SiC-graphene and SiC-carbon nanotubes composites

Elektromagnetické tienenie funkčne gradientných vrstevnatých kompozitov na báze SiC s prídavkom grafénu a uhlíkových nanorúrok

Duration: 1. 1. 2021 - 31. 12. 2024
Evidence number:2/0007/21
Program: VEGA
Project leader: Ing. Hanzel Ondrej PhD.
Annotation:The main goal of this project is preparation of layered SiC-carbon nanostructure composites with highelectromagnetic shielding effectiveness. The research will be focus on study of effect of carbon nanostructures (graphene nanoplatelets and carbon nanotubes) addition into the silicon carbide matrix and arrangement of functional layers on electromagnetic shielding effectiveness and functional properties of layered composites. In order to achieve project objectives, research focused on preparation of composite granulated powders with homogeneous distribution of graphene nanoplatelets (GNPs) and carbon nanotubes (CNTs) and their subsequent effective sintering will be necessary. Composition and arrangement of functional layers of composite layered materials with gradient content of carbon nanostructures will be optimized in order to achieve high electromagnetic shielding effectiveness. Functional and mechanical properties of such prepared layered composites will be studied as well.

Molten fluoride systems for green production of aluminium without CO2 emissions

Fluoridové taveninové systémy pre zelenú výrobu hliníka bez produkcie CO2

Duration: 1. 1. 2022 - 31. 12. 2025
Evidence number:2/0046/22
Program: VEGA
Project leader: Ing. Šimko František PhD.
Annotation:The proposed project is related to complex phase and physico-chemical analysis of multicomponent nMF-AlF3 systems (M = Na, K, n=3-1.2) with the addition of metal oxides Al, Fe, and Ni where compounds based on Fe and Ni are represented corrosion products from the use of inert anodes in aluminium CO2 less production. These are the so-called low-temperature electrolytes, whose research has recently increased attention related to the development and application of inert anodes. The aim of the project will be to define the solubility of oxides/spinels, the phase composition of the systems and to identify the individual components, arising from the interaction between the corrosion products and the electrolyte. These systems will be studied to determine the relationship between the structure and their physicochemical behavior by using either of spectral methods in-situ in the molten state, or by ex-post analysis of the solidified samples, and by physicochemical analysis of high temperature molten systems.

Photomat - Photofunctional hybrid materials of organic luminophores and nanoparticles of layered silicates

Fotofunkčné hybridné materiály organických luminofórov a nanočastíc vrstevnatých silikátov

Duration: 1. 7. 2023 - 30. 6. 2026
Evidence number:APVV-22-0150
Program: APVV
Project leader: Mgr. Boháč Peter PhD.
Annotation:The topic of the project is based on modern trends in materials research, and the experience and recent results of the project team. It was discovered that adsorption, intercalation, or molecular aggregation of specific types of organic molecules can significantly increase their photoactivity, manifesting as an increase in luminescence. The strategy of increasing photoactivity will be the main objective of the project. Each of the phenomena should be applied depending on the molecular structure of the luminophores. The project will focus on hybrids of photoactive organic luminophores and layered silicates. Structurally optimized S,N-heteroaromatic dyes and their ion metal complexes will be prepared within the project. Heteroaromatic systems will be modified by cationic groups or their functionalization with cationic metal ions including Ru(II), Ir(III), Au(III), and others to increase the compatibility of these chromophores with silicates and achieve the required photophysical properties. Appropriate selection of the layered carrier, choice of chemical modification, and suitable conditions for the synthesis of hybrid systems will be the key factors to achieve the project objectives. In addition to improving the properties of molecules, other goals will be to prepare complex functional materials with efficient use of light energy. Here, the organization of molecules in nanostructural hybrids will play a key role to achieve optimal photophysical interactions aimed at specific functionality. In addition to luminescent properties, the aim will be to prepare hybrids with mainly photosensitizing properties. The last step will be the use of nanoparticles for the modification of technical polymers by the formation of nanocomposites. The objective will be obtaining surfaces with photosensitizing and photodisinfection properties, which will be tested for the growth of microbial biofilms.

Ion exchange strengthened aluminosilicate glass/glass-ceramics with additional functionalities

Hlinitano-kremičitanové sklené a sklokeramické materiály spevnené iónovou výmenou a dodatočnými funckionalitami

Duration: 1. 1. 2021 - 31. 12. 2024
Evidence number:VEGA 2/0028/21
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.

The in-situ formation of bioactive functionally graded silicon nitride by field assisted sintering

In-situ tvorba bioaktívneho funkčne gradientného nitridu kremičitého počas spekania v elektrickom poli

Duration: 1. 1. 2022 - 31. 12. 2025
Evidence number:2/0161/22
Program: VEGA
Project leader: Mgr. Tatarková Monika PhD.
Annotation:This project proposes an innovative approach to develop new type of functionally graded Si3N4 bioceramics, consisting of electric field assisted sintering and post-sintering oxyacetylene flame treatment. Different experimental set-ups for field assisted sintering will be investigated in order to maximize a directional effect of electric current on the migration of bioactive additives towards one surface of the material. This will lead to the in-situ formation of a continuous graded Si3N4 biomaterials from a homogenous powder mixture. The bioactivity of the materials will be further improved by the flame treatment, forming a porous layer with bioactive additives. For the first time, the proposed approach will ensure the in-situ formation of a continuous graded structure without any distinct interfaces, typical of layered ceramics, which often act as stress concentrators. The effect of gradient structure on the mechanical and biological properties of novel functionally graded Si3N4 will be investigated.

RARE - Interaction of fluoride melts of rare earth elements with oxides of critical elements in the context of special applications

Interakcia fluoridových taveninových systémov prvkov vzácnych zemín s oxidmi kritických prvkov v kontexte špeciálnych aplikácií

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APVV-19-0270
Program: APVV
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.

Zero-thermal-quenching phosphors for NUV converted pc-WLEDs application

Luminofory s nulovým teplotným zhášaním luminiscencie pre aplikácie v pc-WLED s NUV excitáciou

Duration: 1. 1. 2022 - 31. 12. 2024
Evidence number:VEGA 1/0476/22
Program: VEGA
Project leader: prof. Ing. Galusek Dušan DrSc.
Annotation:The project is focused on research and development of new type phosphors with zero thermal quenching (TQ) behaviour, for potential application in light sources based on conversion of excitation light in NUV spectral range (produced by LED chip) to visible light, such as high power HB LEDs (high brightness LED) or laser lighting. Phosphors will be prepared as powders/nano-powders and as PiG (Phosphor in Glass) composites. The effect of activator and co-dopant concentration on PL emission intensity produced by phosphor under NUV excitation will be investigated. Photoluminescence properties of phosphors containing rare-earth and transition metal ions will be studied in detail with special attention on near-zero/zero TQ behaviour of phosphors up to 250°C. The attention will be paid to study of relations between luminescent properties of materials and their structure and morphology.

NanoBioFit - Nanostructured, functionally graded, and bioinspired 3D Ti-based implants

Nanoštrukturované, funkčne navrstvené a bio-inšpirované 3D iplantáty na báze titánu

Duration: 1. 8. 2021 - 30. 6. 2025
Evidence number:APVV-20-0322
Program: APVV
Project leader: doc. Ing. Hnatko Miroslav PhD.
Annotation:In general, patient response to implants is strongly dependent on the host tissue ─ implant interface because processes such as healing, osteolysis, and infection take place specifically at this interface. Therefore, modification and tailoring of transplants surface properties are attractive methods to trigger and accelerate healing processes and to reduce the possibility of osteolysis and infection. The main goal of the project is oriented towards improving the adhesion of bio-coatings on titanium alloy surfaces and ensure the enhancement of bio-compatibility of the bio-inert implants. Therefore, the main goal will be divided into two interconnected parts. The first part will be devoted to electropolishing of titanium and titanium-based alloys. This electrochemical surface treatment is generally considered as one of the most efficient, convenient and adaptable technique for the improvement of the physical and mechanical surface properties of materials. The second part of the project will deal with the preparation of bio-compatible surface layer on Ti implants by: - the formation of TiO2 nanotube arrays by anodic oxidation of Ti-based alloy - electrophoretic deposition (EPD) of coatings based on bio-composites such as polymers doped with various bioactive glass prepared by glass melting or sol-gel process (with possible antibacterial and inflammatory effect). Introduction of the convenient surface treatment process together with highly bioactive coating materials on bioinert Ti-based 3D implants will allow us to provide personalized, well-fitting implants without the need of additional medical treatment. Significant enhancement of patient comfort together with the reduction of the medical costs will be the main benefits of the presented project.

Novel hybrid nanomaterials based on layered aluminosilicates and chitosan quaternary polycations

Nové hybridné nanomateriály na báze vrstevnatých hlinitokremičitanov a kvartérnych polykatiónov chitosanu

Duration: 1. 7. 2023 - 30. 6. 2024
Program: Iné projekty
Project leader: Mgr. Kureková Valéria PhD.
Annotation:The project will be focused on the preparation and complex characterization of new composite nanomaterials based on layered aluminosilicates from smectites group and commercially unavailable quaternary polycations of chitosan. Smectites improve the physical and mechanical properties of polymers already in small amounts. Chitosan is widely known as antibacterial and biodegradable polymer. Chitosan will be fuctionalised by quaternisation for increase of compatibility with smectite. Polycations with different functional groups will be prepared and intercalated into the interlayer of smectites by using an ion exchange reaction. The variability of the physico-chemical properties of the composite materials will be achieved by modulating of the preparation conditions. The effect of the modification on the antibacterial activity of the prepared composites will be tested. Selected approach should lead to the preparation of materials usable in medicine, in the food industry and in the process of wastewater treatment.

New High - Entropy Ceramics for Advanced Applications

Nové vysoko-entropické keramické materiály pre pokročilé aplikácie

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APPV-19-0497
Program: APVV
Project leader: prof. RNDr. Šajgalík Pavol DrSc.

Advanced materials based on the inorganic layered structures studied by model and experimental approaches

Pokročilé materiály na báze anorganických vrstevnatých štruktúr študované modelovým a experimentálnym prístupom

Duration: 1. 1. 2023 - 31. 12. 2026
Evidence number:2/0026/23
Program: VEGA
Project leader: Ing. Scholtzová Eva CSc.
Annotation:The project presents a combined theoretical and experimental research of selected pollutants adsorbed on the layered structures (LS) based on graphene (G), aluminosilicates (AS) and their modifications with improved physicochemical properties. Pollutants are extracted significantly, e.g., from contaminated waters, by adsorption on these LS. A comparative study on the adsorption effectivity of pollutants by layered structures of the G type (expensive materials) and clays (lower cost) is focused on understanding the interactions responsible for the forming and stability of these complexes. New knowledge about the way of pollutants immobilisation also contributes to the proposal of advanced hybrid materials combining properties of both types of LS applied in green technologies. The outputs from modelling will also interpret the results obtained experimentally to achieve a complex characterisation of the studied advanced materials based on the inorganic layered structures.

Advanced materials with eutectic microstructure for high temperature and functional applications

Pokročilé materiály s eutektickou mikroštruktúrou pre vysokoteplotné funkčné aplikácie

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APVV-19-0010
Program: APVV
Project leader: Ing. Prnová Anna PhD.

Advancing in calculation and interpretation of spectroscopic parameters of heavy element compounds

Pokrok vo výpočte a interpretácii spektroskopických parametrov zlúčenín ťažkých prvkov

Duration: 1. 1. 2021 - 31. 12. 2024
Evidence number:2/0135/21
Program: VEGA
Project leader: Dr. Malkin Oľga DrSc.
Annotation:The project is devoted to further development of relativistic methods for calculation of spectroscopic properties of heavy-element compounds. The development will be based on DFT program ReSpect (Relativistic Spectroscopy) currently supported and developed by close collaboration between the Institute of Inorganic Chemistry, SAV and the University of Tromso, Norway. In this project we plan to extend the existing set of theoretical tools for analysis and interpretation of spectroscopic parameters of paramagnetic compounds with an emphasis on the use of localized molecular orbitals within 4-component non-collinear DFT framework. The second challenging objective is to extend the set of spectroscopic properties implemented in ReSpect. This task will involve the development and implementation of methods for their calculation. We plan to apply the newly developed methods and programs to study heavy-element compounds in collaboration with our foreign partners.

Porous ceramic anodes for novel sodium-ion batteries

Pórovité keramické anódy pre sodíkové batérie novej generácie

Duration: 1. 12. 2022 - 31. 12. 2024
Evidence number:2/0167/22
Program: VEGA
Project leader: doc. Ing. Lenčéš Zoltán PhD.

Potential of layered aluminosilicates as excellent guests to accommodate polymeric cations: design of new composite materials

Potenciál vrstevnatých aluminosilikátov ako excelentných nosičov polykatiónov: dizajnovanie nových kompozitných nanomateriálov

Duration: 1. 1. 2021 - 31. 12. 2024
Evidence number:2/0166/21
Program: VEGA
Project leader: Ing. Pálková Helena PhD.
Annotation:The project is aimed at the preparation of composite materials based on layered aluminosilicates as suitable carriers for different types of organic polycations, possessing properties interesting for various applications. The variability in the chemical composition of the selected layered materials in connection with the diversity of the molecular structures and properties of polymeric cations and copolymers opens up wide opportunities towards the preparation of well-defined systems. Careful selection of the inorganic carries and polycations is an essential step to achieve their mutual compatibility resulting not only in preserving but primarily in improving the key properties of the prepared composites. Therefore, the synthesis conditions (e.g. pH) and the addition of another component to the systems (fluorescent dyes, metal nanoparticles) will be evaluated. The cytotoxicity test to predict biocompatibility of the materials, photoactivity, catalytic and adsorption efficiency will be assessed as well.

NIPOFABs - Towards nanotechnologies using bioactive particles/molecules in the fight against microbial biofilms

Smerom k nanotechnológiám využívajúcim bioaktívne častice/molekuly v boji proti mikrobiálnym biofilmom

Duration: 1. 7. 2022 - 30. 6. 2026
Evidence number:APVV-21-0302
Program: APVV
Project leader: Ing. Pálková Helena PhD.
Annotation:The topic of submitted project reflects current scientific challenges using the strategy of an interdisciplinary approach in tackling the highly urgent issues of microbial biofilms. It is focused on the fields of basic and molecular microbiology in association with study of the prevention or eradication of microbial biofilms using novel hybrid materials. In the project, biological research is closely linked to various approaches in the field of the nanomaterial chemistry. The main subject of the study will cover multispecies biofilms, not only composed of bacteria but also of yeasts and their mutual combinations, which reflects their significance in biofilm-associated infections. The tested microorganisms will include Staphylococcus aureus, enterococci, Escherichia coli, and representatives of yeasts of the genus Candida. The formation of biofilms, interspecies interactions, including the role of quorum sensing molecules in these processes, as well as the effectiveness of bioactive particles/molecules in the prevention and eradication of biofilms, including the phenomenon of multidrug resistance, will be studied in detail by modern microbiological methods. Hybrid materials based on inorganic layered nanoparticles in the role of carriers of bioactive organic molecules, in particular photosensitizers, will be used as active materials. Functionalized nanoparticles will be used to modify the surfaces of selected types of polymers often used in medical practice. The aim will be to prepare new or improved materials to achieve maximal antimicrobial effectiveness. The results of the project could bring new knowledge in the topic of microbial biofilms, but also in the preparation of antimicrobial hybrid systems applicable in various fields of nanomedicine.

NEOCAR - Novel enhanced oxidation-resistant ultra-high temperature carbides

Ultra-vysokoteplotné karbidy so zvýšenou oxidačnou odolnosťou

Duration: 1. 7. 2023 - 30. 6. 2027
Evidence number:APVV-22-0493
Program: APVV
Project leader: Ing. Tatarko Peter PhD.
Annotation:The improvement of oxidation resistance of ultra-high temperature ceramics (UHTCs) has critical importance in meeting the growing need for applications used at temperatures exceeding 2000 °C in oxidizing atmospheres such as hypersonic vehicles and spacecraft. Recently, with the aid of the exploration of multi-principal element ceramics, consisting of four or more different cations or anions stabilized by the configurational entropy, a vast new compositional space has opened up to develop novel UHTCs with enhanced oxidation resistance. However, to design such materials through the prediction of their complex oxidation processes, it is fundamental to establish a comprehensive understanding of the mono and binary transitional metal carbides that is targeted in the present project, something that is currently missing. Thus, the main aim of the project is to develop novel oxidation-resistant UHTCs through a systematic experimental based study in which the high-temperature properties (oxidation/ablation resistance, thermal shock resistance etc.) and mechanical behaviour of mono and binary refractory carbides will be studied. Different secondary phase materials with the incorporation of silicon will also be tested in the form of SiC and transitional metal silicides, which are known as protective glassy phase-forming compounds that can further improve the oxidation resistance of newly developed UHTCs. In addition to the understanding of the oxidation and mechanical behaviour of these ceramics and composites, the prediction of the models established will be validated by the synthesis of new oxidation-resistant 3-, 4- and 5-metal carbide systems that will be also tested experimentally. The accomplishment of the present project will generate fundamental knowledge that is needed for the design of novel more complex multi-principal element ceramics. Filling this lack of knowledge would be of great importance for whole materials science community.

APSPQ - Artificial photosynthetic systems based on photoactive molecules and quantum dots

Umelé fotosyntetické systémy založené na fotoaktívnych molekulách a kvantových bodoch

Duration: 1. 9. 2022 - 31. 8. 2025
Evidence number:1258/02/02
Program: SASPRO
Project leader: Mgr. Matejdes Marián PhD.
Annotation:The presented project deals with the development of a water-dispersible artificial photosynthetic system capable of capturing solar radiation on an area of several thousands of µm2 per particle and utilizing the gained solar energy within photodegradation, photo disinfection, or photocatalytic processes. The energy of the light radiation will be transported to a distance of several tens of µm via a non-radiative or radiative energy transfer mechanism to quantum dots located at the edge of the artificial antenna. After the funneling of the excitation energy to quantum dots, it is expected that this energy will drive at the quantum dot/H2O interface photoactive processes. Besides cadmium-based, it is aimed to develop simultaneously also indium- and zinc-based artificial photosynthetic systems having a much higher probability of being interesting for industrial/commercial applications.

RADLON - Influence of radiation load on fiberglass insulation in terms of refrigerant recirculation in emergency conditions of nuclear power plants with pressurized water reactors

Vplyv radiačnej záťaže na sklovláknitú izoláciu z hľadiska recirkulácie chladiva v havarijných podmienkach jadrových elektrární s tlakovodnými reaktormi

Duration: 1. 7. 2023 - 30. 6. 2027
Evidence number:APVV-22-0004
Program: APVV
Project leader: prof. Ing. Liška Marek DrSc., Dr.h.c.
Annotation:The aim of the Project is to extend the methodology of verifying the functional capability of emergency core cooling systems in case of loss-of-coolant accidents as well as that of cooling systems intended for severe acc idents from the standpoint of impacts of long-term exposure of thermal insulation to radiation at elevated temperatures and in such a way to actively contribute to increasing the operating safety of nuclear power plants. Within the Project, samples of thermal insulation exposed to accelerated heat and radiation ageing will be investigated. The radiation doses are anticipated to be at the level of a 40-year operation at a dose rate of 10 Gy/h on the primary circuit of a WWER 440 V213 type NPP. Samples treated in such a way will be investigated from the standpoint of changes in their physico-mechanical properties as well as from the standpoint of their chemical resistance to corrosive effects of emergency reactor coolant. However, preparation of the samples by accelerated heat and radiation ageing i s extremely both time-consuming and costly. For instance, to obtain a sufficient radiation dose at a level simulating a 40-year operation (approximately 3500 kGy), irradiation period is needed equal to approximately 1650 h of net irradiation time with an average irradiation dose rate of 2 kGy/h. Irradiation is to be performed at an elevated temperature of 300°C which means that it will have to be performed in a thermal box. That is why it is necessary to develop a procedure for simulation of irradiation effects in order to obtain a sufficient number of samples for integrated testing. A feasible solution seems to be thermo-mechanical loading of the samples since, based on the knowledge obtained so far, thermal insulation fibres under the effect of irradiation at elevated temperature lose their mechanical elasticity and become brittle. In addition, their chemical resistance to corrosion effects of the coolant solution changes.

IRMA - Investigation of the ternary phases in the systems M-R-F (where M – Li-Cs, (NH4); R – Sc, Y, Ln) for the development of new multifunctional materials

Výskum ternárnych fáz v systémoch M-R-F (kde M – Li-Cs, (NH4); R – Sc, Y, Ln) pre vývoj nových multifunkčných materiálov

Duration: 1. 9. 2022 - 31. 8. 2024
Evidence number:1171/01/02
Program: SASPRO
Project leader: Matselko Oksana PhD.
Annotation:Lack of the information as well as not completeness of the data prevent the application of the compounds in the development of different types of materials. The search of new compounds with appropriate optical and operational properties is of great interest in the field of solid state fluorine chemistry. The proposed project is focused on the ternary fluorides in the systems M-R-F (where M – Li-Cs, (NH4); R – Sc, Y, Ln) with emphasis on the temperature driven solid-solid state phase transformations and photoluminescent properties of compounds with further establishment of the regularities of the structural transformations and changes in properties depending on the M and R content. The main challenge in such kind of research is that it is hard to predict which compound is capable for such transformations until all experimental data are obtained. To shed more light on this issue synthesis of pure compounds, analysis of their thermodynamic data, solid-solid phase transformations as well as solution of the high temperature crystal structures from the X-ray diffraction data (including synchrotron experiments) and properties measurements are suggested.

DKS-pNMR - Development of tools for advanced analysis and prediction of parameters of EPR, NMR and pNMR spectra of complex systems containing heavy elements

Vývoj nástrojov pre pokročilú analýzu a predikciu parametrov spektier EPR, NMR a pNMR komplexných systémov obsahujúcich ťažké prvky

Duration: 1. 7. 2020 - 30. 6. 2024
Evidence number:APVV-19-0516
Program: APVV
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.

ComCer - Development of new compositionally-complex ceramics for extreme applications

Vývoj nových keramických materiálov komplexného zloženia pre extrémne aplikácie

Duration: 1. 7. 2022 - 30. 6. 2026
Evidence number:APVV-21-0402
Program: APVV
Project leader: Ing. Tatarko Peter PhD.
Annotation:The main aim of the proposed project is to develop next generation ultra-high temperature ceramics capable of withstanding temperatures up to 3000°C for propulsion systems, rocket engines and other aerospace applications. This will be achieved by the synthesis of diboride ceramics with unique compositionally -complex structures, comprising of at least five metal elements. A systematic study will be conducted to generate new knowledge on the understanding of the effect of various molar ratios of individual metal cations in diboride structures on the stability, synthesis, sintering and mechanical properties of bulk diboride ceramics. The results will significantly contribute to the expansion of the high entropy ceramics concept with equimolar compositions towards the development of compositionally-complex ceramics with non-equimolar compositions. The project also proposes an innovative way of manufacturing ultra-high temperature ceramics, consisting of the development of ceramic composites based on the high-entropy and compositionally-complex diboride matrix, reinforced with the refractory additives. The output of the project will be new fundamental knowledge on the formation of disordered diboride structures, and their effect on mechanical properties of the materials at room, intermediate, and ultra-high temperatures.

DCG-XAS - Development of advanced methods for accurate prediction and analysis of X-ray spectra of open-shell species

Vývoj pokročilých metód určených na presnú predpoveď a analýzu röntgenových spektier molekúl s otvorenou obálkou

Duration: 1. 7. 2023 - 30. 6. 2027
Evidence number:APVV-22-0488
Program: APVV
Project leader: Mgr. Komorovský Stanislav PhD.
Annotation:The main objective is to develop, implement, and apply new methods for accurate prediction and interpretation of electron absorption spectra and non-linear optical processes. The project focuses on open-shell systems that contain elements across the periodic table and on the X-ray spectral region. To this end, an accurate description of relativistic effects is mandatory. The newly developed approaches will be implemented into our in-house program ReSpect, based on the density functional theory, and applied to interesting chemical problems with the help of our broad network of international collaborators. For a successful application of our methods, it is crucial also to implement new innovative tools for interpretation, visualization, and analysis of the calculated results.

Desirable and undesirable interactions between molten fluorides and materials of critical elements

Žiadúce a nežiadúce interakcie roztavených fluoridov s materiálmi na báze kritických prvkov

Duration: 1. 1. 2024 - 31. 12. 2027
Evidence number:2/0083/24
Program: VEGA
Project leader: Ing. Kubíková Blanka PhD.
Annotation:The submitted project is focused on the study of desirable and undesirable interactions of molten fluoride systems with materials based on the selected critical elements, the recycling rate of which is minimal in the EU. In this case, controlled physico-chemical processes are considered desirable interactions, in contrast to undesirable interactions, primarily in connection with the corrosion of construction materials. The research will be focused on the physicochemical and thermochemical analysis of molten fluorides, the study of solubility/corrosion resistance of materials in molten salts, the synthesis of new substances, and spectral and diffraction analysis of pure substances, molten mixtures, and solidified mixtures after experiments.

Projects total: 34