The list of national projects SAS
Institute of Inorganic Chemistry
Carbon-silicon based composite anodes for Li-ion batteries
Anódy pre Li-iónové batérie na báze uhlík-kremíkových kompozitov
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 |
| Program: |
SRDA |
| 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. |
Bionanocomposites based on organic polycations and layered silicates
Bionanokompozitné materiály na báze vrstevnatých silikátov
| Duration: |
1.7.2020 - 30.6.2024 |
| Program: |
SRDA |
| 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 |
| 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. |
Phase changes of metal oxides in fluoride melts
Fázové premeny oxidov kovov v roztavených fluoridových systémoch
| Duration: |
1.1.2020 - 31.12.2023 |
| Program: |
VEGA |
| 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, electrical
conductivity) 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.
|
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 |
| 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. |
Ion exchange strengthened aluminosilicate glass/glass-ceramics with additional functionalities
Hlinitano-kremičitanové sklené a sklokeramické materiály spevnené iónovou výmenou a dodatočnými funckionalitami
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 - 31.12.2024 |
| 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. |
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 |
| 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. |
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 |
| 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.
|
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 |
| Program: |
SRDA |
| 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.
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New High - Entropy Ceramics for Advanced Applications
Nové vysoko-entropické keramické materiály pre pokročilé aplikácie
Advanced materials with eutectic microstructure for high temperature and functional applications
Pokročilé materiály s eutektickou mikroštruktúrou pre vysokoteplotné funkčné aplikácie
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 |
| 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
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 |
| 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. |
Polymer surfaces modified with layered nanoparticles and photoactive dyes
Povrchy polymérov modifikované vrstevnatými nanočasticami a fotoaktívnymi farbivami
| Duration: |
1.7.2019 - 30.6.2023 |
| Program: |
SRDA |
| Project leader: |
Ing. Pálková Helena PhD. |
| Annotation: | The project is an interdisciplinary basic research on nanocomposites of technically used polymers whose
functionality depends on the properties of the organic dyes present. The aim will be to provide nanocomposites
with an increased particle concentration on the surface of the polymer. The particles must be pretreated with
organic surfactants prior to the synthesis of nanocomposites to achieve compatibility with the polymer, which will
be one of the main tasks of the project. In the next step, the modified particles will be functionalized with dye
molecules and used to prepare nanocomposite. The surface functionality will be achieved by suitably selected
dyes with interesting photophysical and photochemical properties. The goal will be to obtain surfaces which are
attractive 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 of
the dyes used will be directed to both to commercially available laser dyes and to photosensitizers mainly from
the xanthene and thiazine dye groups, as well as to newly prepared fluorescent dyes. |
Rozvoj a podpora výskumno – vývojových aktivít Centra pre testovanie kvality a diagnostiku materiálov v oblastiach špecializácie RIS3 SK
Rozvoj a podpora výskumno – vývojových aktivít Centra pre testovanie kvality a diagnostiku materiálov v oblastiach špecializácie RIS3 SK (ITMS2014+: 313011W442)
| Duration: |
1.1.2019 - 30.6.2023 |
| Program: |
|
| Project leader: |
prof. Ing. Galusek Dušan DrSc. |
| Annotation: | Operačný program: Integrovaná infraštruktúra
Aktivita ÚACH SAV: Funkčné a povrchovo funkcionalizované materiály s vysokou pridanou hodnotou |
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 |
| Program: |
SRDA |
| 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. |
Structure and properties of bioactive glasses doped with ions with potential therapeutic and antibacterial effects
Štruktúra a vlastnosti bio aktívnych skiel dopovaných iónmi s potenciálne terapeutickými a antibakteriálnymi účinkami
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 |
| Program: |
SASPRO |
| Project leader: |
prof. RNDr. Bujdák Juraj DrSc. |
| 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. |
Building a centre for advanced material application SAS
Vybudovanie centra pre využitie pokročilých materiálov SAV
| Duration: |
1.7.2019 - 30.6.2023 |
| Program: |
|
| 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. |
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 |
| Program: |
SASPRO |
| Project leader: |
doc. Ing. Boča Miroslav DrSc. |
| 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. |
Development and characterisation of spherical microparticles for preparation of advanced 3D glass and glass-ceramic structures
Vývoj a charakterizácia sférických mikročastíc vhodných na prípravu 3D sklených a sklo-keramických štruktúr
| Duration: |
1.1.2020 - 31.12.2023 |
| Program: |
VEGA |
| Project leader: |
Ing. Michálková Monika PhD. |
| Annotation: | This project addresses the development of new materials in the form of vitreous microspheres, prepared via flame synthesis, and their utilization in 3D glass and glass-ceramic structures. The project focuses on the optimization of the flame synthesis parameters (i.e. the length vs temperature of flame ratio, the red-ox conditions of ignition, or the precursor feeding rate). These conditions influence the chemistry, structure, and morphology of synthesized microspheres. Full, hollow and porous microspheres will be prepared in aluminate, silicate, borate and boro-silicate systems, which, in many cases such compositions are difficult to achieve via conventional glass-making methods. Hollow and porous microspheres will be prepared via alkali activation or the addition of porogens. Microspheres will be used for the preparation of advanced 3D structures via the Additive Manufacturing Technology (3D print), which utilizes Direct Light Processing, Direct Ink Writing and Hot Isostatic pressing |
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 |
| 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. |
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 |
| Program: |
SRDA |
| 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. |
The total number of projects: 26
