institute of inorganic chemistry slovak academy of sciences · institute of inorganic chemistry sas...

Institute of Inorganic Chemistry Slovak Academy of Sciences

Location and address

Institute of Inorganic Chemistry SAS

Dúbravská cesta 9 845 36 Bratislava Slovakia

http://www.uach.sav.sk/

Department of Ceramics Department of Hydrosilicates

Department of Molten Systems Department of Theoretical Chemistry

Joint Laboratory of Glass VILA

Structure of the IIC SAS

Director - doc. Ing. Miroslav Boča, PhD.

Scientific board Management board

Economy and Services section Departments


A little bit of statistics up to 31.12.2013


• Number of employees: 90 • Number of researchers: 53 • Number of PhD students: 18 • Average age of researchers: 43 • Number of publications: 61

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Projects and funds/grants

Domestic International

Scientific Grant Agency of the Ministry of Education of the

Slovak Republic and the Slovak Academy of Sciences - VEGA

Slovak Research and Development Agency - APVV

Structural Funds

SAS Centre of Excellence

7th FP

Bilateral projects (MAD, MVTS, APVV, ...)

Structural funds • Centre for materials, layers and systems for applications and chemical

processes under extreme conditions Coordinated by IIC 666 661,-€ • Centre for materials, layers and systems for applications and chemical

processes under extreme conditions – Stage II Coordinated by IIC 1 690 511,-€ • Centre of excellence for ceramics, glass and silicate materials Coordinated by IIC 1 988 500,-€ • Centre for knowledge marketing and intellectual property rights of SAS 3 300,-€ • Effective control of production and consumption of energy from renewable

sources 286 360,-€ • Knowledge database and expert system for environmental friendly solutions

of loss of coolant accidents in atomic nuclear power plants 823 660,-€


• Industrial research for needs of the reengineering of the unique technology of the glass preparation and the forming work 436 700,-€

• High-flow plasma generator based on composite materials for gasification of

solid hydrocarbons 176 000,-€

• Applied research of technology of thermal plasma processes 630 344,-€ • Competence center for new materials, advanced technologies and energy 65 500,-€ • Center for applied research of new materials and technology transfer 149 859,80€ • University science park of STU Bratislava 95 000,-€ • Investigation and verification of catalytic dehalogenation on reactive

barriers technologies - treatment of contaminated water from polluted industrial sites 932 864,-€

Structural funds


FP7 • FUNEA - Functional nitrides for energy applications Coordinator - Technische Universtät Darmstadt, Germany

Partners - France (Université de Montpellier, Centre National de La Recherche Scientifique), Germany (Faurecia Emissions Control Technologies Germany GmbH, Universität Bayreuth, AZ Electronic Materials GmbH), Sweden (Stockholm Universitet), Italy (Universita degli Studi di Trento, Universita degli Studi di Padova), Turkey (MDA Ileri Teknoloji Seramikleri Sanayi Ticaret Ltd.)

• Pushing the envelope of nuclear magnetic resonance spectroscopy for paramagnetic systems. A combined experimental a theoretical approach (pNMR) Coordinator - Centre Europeen de RMN a Tres Hauts Champs, France Partners - Finland (OULUN Yliopisto), France (CNRS Lyon), Netherlands (Universiteit Leiden), Germany (TU Berlin, Bruker Biospin GMBH), Switzeland (ETH Zurich), Sweden (Stockholms Universitet), Italy (Consorzio Interuniversitario Risonanze Magnetiche di Metallo Proteine, Giotto Biotech), Great Britain (University of Cambridge)


Framework programme

FP6 • FUNMIG (FP6-EURATOM): Fundamental processes of radionuclide

migration Coordinator - Dr. G. Buckau, Institute for Nuclear Waste Disposal, Research Center Karlsruhe, Germany

• SMART (FP6): Foresight action for multifunctional materials

technology Coordinator - Dr. Gerd Schumacher, Forschungszentrum Juelich, Germany

• PolyCerNet(FP6): Tailored multifunctional polymer-derived

nanoceramics Coordinator - prof. Gian-Domenico Soraru, University of Trento, Italy

Framework programme


Selected experimental devices • Phase, microstructural and chemical analysis

SEM, XRD powder diffractometer, C/S analyzer, O/N/H analyzer (high performance elemental analyzers)

• Determination of physico-chemical and mechanical properties of materials TG/DTA/DSC analyzer, thermomechanical analyzer, rheometer, zeta potential analyzer, …

• Spectral methods XRF sequential spectrometer, fluorescence spectrophotometer, FTIR spectrometer, UV-VIS spectrophotometer, Raman spectrometer, ...

• Preparation and machining of ceramic and glass samples Hot press elatec control, hot isostatic press, optical profile grinding machine, abrasive cutter, plasma system FEMTO, ...

• Preparation and machining of samples Glove box, planetary mill, vibratory micro mill, freeze dryer, ...

Department of Ceramics

Institute of Inorganic Chemistry SAS – Department of Ceramics

Head prof. RNDr. Pavol Šajgalík, DrSc. Scientific staff doc. RNDr. Milan Drábik, PhD. Ing. Marián Gall, PhD. Prom. farm. Ľubica Gáliková doc. Ing. Miroslav Hnatko, PhD. doc. Ing. Zoltán Lenčéš, PhD. Ing. Linda Pentráková, PhD. Ing. Jaroslav Sedláček, PhD. Ing. Martin Vitkovič, PhD.

Technical staff Miriam Hnatková Anna Jurová Magdaléna Kňazovičová

Guest researcher Dipl.-Ing. Sabinie Gschiel, PhD. (Montanuniv. Leoben, RHI AG)

PhD. students Dip.-Ing. Christina Atzenhofer, Mgr. Roman Bystrický, Mgr. Magdaléna Domanická, Ing. Ondrej Hanzel, Ing. Monika Hrabalová, M.Sc. Ibrahim Ismail, Ing. Katarína Müllerová, Ing. Vladana Šamajová, Mgr. Michal Vetrecin

Powders: • Preparation of SiCN nanopowders by CVD • Cross/linking and pyrolysis of Si-C-N-O organometallic precursors (co-operation with TU Darmstadt) • Preparation of carbon nanotubes (CNT´s) Engineering ceramics: • Si3N4/SiC based micro/nanocomposites • Polymer derived mixed α/β/o-sialons • SiC special ceramics • CNT/alumina and CNT/Si3N4 based composites • Oxinitride matrix materials for refractories Engineering ceramics with function: • Layered composites (Si3N4/Si3N4, Si3N4/SiC) – materials with selfdetection • SiC/(TiNb)C – electricaly conductive ceramics • Transparent alumina and YAG based ceramics • MgSiN2, LaSi3N5 – HTC materials • Nitride based phosphors • Bioceramics for implants and SRBSN ceramics – bio and HTC materials

Fields of scientific interest


Highlights • Laboratory Hot Press for the preparation of ceramic and other materials

up to 2100°C and axial pressure 40 MPa. (International patent application)

• Alumina-MWCNT composite materials with homogeneous distribution of carbon nanotubes with significant improvement of electrical conductivity. (International patent application)

• Japanese patents (3) on the preparation of high thermal conductivity ceramics and light emitting phosphors .

• Porous oxynitride-based bioceramics for bone implant applications.

• CNT and/or graphene containing non-oxide nanocomposites with improved mechanical and functional properties for high-temperature applications.


Current research projects


APVV • BioNitride - Development of composite biomaterials based on silicon

nitride. P. Šajgalík 2011-2014 • SiNGra - Development of Si3N4 with addition of graphene platelets. P. Šajgalík 2012-2015 Coordinator: Institute of Material Research SAS • Development of SiC based conductive ceramics. P. Šajgalík 2013-2017 Coordinator: Institute of Material Research SAS VEGA • Improvement of functional properties of ceramic materials with the

addition of carbon nano-tubes and graphene. M. Hnatko 2014-2017 • Ternary silicon nitride and oxynitride-based phosphors. Z. Lenčéš 2014-2017

Head: RNDr. Peter Komadel, DrSc. Scientific staff: Mgr. Anna Brtáňová, PhD. doc. RNDr. Juraj Bujdák, DrSc. Mgr. Adriana Czímerová, PhD. Mgr. Alexander Čeklovský, PhD. Mgr. Ľuboš Jankovič, PhD. RNDr. Jana Madejová, DrSc. Ing. Helena Pálková, PhD. Ing. Martin Pentrák, PhD. Ing. Jana Valúchová, PhD.

Department of Hydrosilicates

PhD. Students Mgr. Valéria Bizovská Mgr. Peter Boháč Mgr. Lukáš Petra Ing. Samuel Sas

Institute of Inorganic Chemistry SAS – Department of Hydrosilicates

Technical staff: RNDr. Klára Hrnčiarová Zora Lukáčová

• Organoclays of attractive properties Replacement of the exchangeable cations with alkylammonium or alkylphosphonium cations – modification of the surface properties

• Clay – polymer nanocomposites Improvement of the selected properties of polymers after organoclays addition

• Supramolecules hybrid systems of dyes and layered silicates Photophysical and photochemical properties Energy transfer Photosensitizers materials LBL assemblies layers

• Spectroscopic study Original interpretation of the near-IR spectra of analyzed materials

Fields of scientific interest

New materials prepared by modification of layered silicates


Highlights


• Phenomenon of molecular aggregation, reaction mechanism and method for suppressing the preparation of fluorescent hybrid materials

• Application of the near-infrared spectroscopy in the research of clay minerals and their modifications by organic cations and/or inorganic acid

• Synthesis and characterization of low dimensional ZnS- and PbS- semiconductor particles on montmorillonite templates

H J M

Current research projects APVV • Photoactive hybrid nanomaterials with luminescent and antimicrobial properties J. Bujdák 2012 – 2015 • Organoclays and their composites with polymers P. Komadel 2011 – 2014 • Perlite genesis and innovative approaches to its exploitation and processing J.Madejová 2013 – 2017 Coordinator: Faculty of Natural Sciences CU

VEGA • Hybrid materials based on layered silicates with cyanine and porphyrine dyes A. Czímerová 2013 – 2016 • Preparation and properties of novel organoclays for polymer and environmental

applications J. Madejová 2013 – 2016

MAD • Organoclays as intermediates for the synthesis of functional hybrid materials H. Pálková 2013 – 2015 SK-Poland


Department of Molten Systems Head doc. Ing. Miroslav Boča, PhD. Scientific staff Ing. Michal Korenko, PhD. Ing. Blanka Kubíková, PhD. Ing. Marián Kucharík, PhD. Ing. Jarmila Mlynáriková, PhD. Ing. Zuzana Netriová, PhD. Ing. Viliam Pavlík, PhD. Ing. František Šimko, PhD. Ing. Zuzana Vasková, PhD. PhD. Students Ing. Martin Kontrík Ing. Michal Šimurda

Technical staff Ing. Eva Hadzimová Jarmila Heinleinová Ing. Veronika Gurišová Ing. Iveta Macková Ing. Eva Mikšíková Ing. Ľubomír Koleda Ing. Jozef Priščák Ing. Zuzana Slobodová

Institute of Inorganic Chemistry SAS – Department of Molten Systems


Fields of scientific interest Research of physico-chemical properties of molten salts, mostly fluorides, using the experimental and theoretical tools.

Thermodynamic analysis of fluoride systems based on Ta, Nb, Al, Zr, lanthanides, etc.

• Physico-chemical analysis and calorimetric measurements of fluoride melts - viscosity, density, surface and interface tension, thermal analysis, conductivity, ...

• Structural analysis of fluoride salts - XRF, X-ray and neutron diffraction, rapid solidification processing, solid state and high temperature NMR spectroscopy, ...

• Corrosion analysis of alloys in different media is an overlapping of both groups of analysis.

Highlights • Application of modern spectral and diffraction

methods (NMR, XPS, XRD, etc.) on inorganic fluoride systems.

19F MAS NMR spectrum

• Accumulation of the energy – storage tank filled with special salt.

BOČA, M. - MONCOL, J. - NETRIOVÁ, Z. - VELIČ, D. - JERIGOVÁ, M. - NUNNEY, T. S. - BAILY, C. J. - KUBÍKOVÁ, B. - ŠIMKO, F. - JANDERKA, P. Variation of oxygen content in selected potassium fluorido-oxido-tantalate phases. In Solid State Sciences 2011, vol. 13, p. 2190 - 2195. BOČA, M. - BARBORÍK, P. - MIČUŠÍK, M. - OMASTOVÁ, M. X-ray photoelectron spectroscopy as detection tool for coordinated or uncoordinated fluorine atoms demonstrated on fluoride systems NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7. In Solid State Sciences, 2012, vol. 14, p. 828 - 832. ŠIMKO, F. - PRITULA, O. - RAKHMATULLIN, A. - BESSADA, C. The study of the system Na3AlF6-FeF3. In Journal of Fluorine Chemistry, 2012, vol. 144, p. 137-142.

Project: Effective control of production and consumption of energy from renewable sources

• Corrosion investigation of Ni, Zr and Fe based alloys or ceramics in different molten media.

Pavlík, V. – Boča, M. Corrosion of titanium diboride in molten FLINAK(eut). In Chemical Papers. 2012, vol. 66(11), p. 1073-1077. Barborík, P. A study of the potential of fluoride molten salts for high temperature applications, PhD thesis, 2013, STU Bratislava


VEGA • Molten fluoride systems for high temperature applications with potential in

energy sector application M. Boča 2012 – 2015 • Low melting electrolytes and wetted cathodes with potential for electrolytic

aluminium production F. Šimko 2014 – 2017

Current research projects APVV • Inorganic fluoride melts – the complex study of spectral, diffraction,

physicochemical, thermodynamic and structural characteristics M. Boča 2011 – 2014

Bilateral • SolarGradeSilicon project, physico-chemical analysis of molten fluoride

systems for electrowining of solar grade silicon F. Šimko 2013-2014 SK-China • Potential influence of potassium and rubidium on the formation of

oxofluoroaluminates in solid state F. Šimko 2014-2015 SK-France


Department of Theoretical Chemistry

Head RNDr. Ľubomír Smrčok, CSc. Scientific staff James Richard Asher, PhD. Doc. Ing. Tomáš Bučko, PhD. Mgr. Peter Hrobárik , PhD. Mgr. Stanislav Kedžuch, PhD. Doc. Ing. Pavol Mach, CsC. Dr. Vladimír G. Malkin, DrSc. Dr. Oľga L. Malkin, DrSc. Prof. RNDr. Jozef Noga, DrSc. Mgr. Michal Repiský, PhD. Ing. Eva Scholtzová, CSc. Ing. Štefan Varga, CSc.

Emeriti Ing. Slavomír Ďurovič, CSc. RNDr. Dalma Gyepesová, CSc. PhD. Students Mgr. Marcela Hrdá Mgr. Peter Cherry Mgr. Márius Kádek

Institute of Inorganic Chemistry SAS – Department of Theoretical Chemistry


Fields of scientific interest Research activities are divided into three areas:

• Development of advanced computational methods for treating electron correlation in molecules and solids.

• Studies on magnetic and electric properties of medium-sized systems including calculations of NMR and EPR parameters of organometallic, biologically and catalytically active substances.

• Combining experimental methods (X-ray and neutron structure analysis, vibrational spectroscopy by inelastic neutron scattering) with precise DFT calculations in the solid state.


Highlights

• Novel and efficient methods for prediction and interpretation of NMR and EPR spectra of heavy-element compounds.

S. Komorovský, M. Repiský, K. Ruud, O.L. Malkina, V.G. Malkin: Four-Component Relativistic Density Functional Theory Calculations of NMR Shielding Tensors for Paramagnetic Systems. J. Phys. Chem. A 117, 14209−14219, 2013. P. Hrobárik, V. Hrobáriková, F. Meier, M. Repiský, S. Komorovský, M. Kaupp: Relativistic Four-Component DFT Calculations of 1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the BuckinghamStephens Model, J. Phys. Chem. A 115 (2011) 5654 Project: 7FP: Marie Curie Initial Training Networks action (FP7-PEOPLE-2012-ITN), project 317127 “pNMR”

• Solving the independent-particle model via nonunitary transformation based on variational coupled cluster singles.

J. Noga, J. Simunek, Solving the Independent-Particle Model via Nonunitary Transformation Based on Variational Coupled Cluster Singles. J. Chem. Theory Comput. 6 (2010) 2706-2713.

VEGA • ReSpect – a practical and efficient computational tool to study heavy element

compounds O. Malkin 2013 – 2016 • The influence of the water content in cementitious mienrals on their structural,

physical, chemical and mechanical properties – Model and experimental study E. Scholtzová 2012 – 2014 • Structure and dynamics of hydrogen bonds in solids by diffraction methods,

quantum chemistry and inelastic neutron spectroscopy (INS) Ľ. Smrčok 2012 – 2015

Current research projects APVV • Relativistic calculations of parameters of NMR and EPR spectroscopy for

compounds containing heavy elements: further methodological development and applications

V. Malkin 2011 – 2014 • Polyaplicable heterocycles – design, synthesis and properties

Ľ. Smrčok 2012-2015 Coordinator: Faculty of Chemical and Food Technology SUT


Joint Glass Centre VILA Head Prof. Ing. Dušan Galusek, DrSc. Scientific staff Ing. Dagmar Galusková, PhD. Ing. Katarína Fatúriková , PhD. Ing. Branislav Hruška, PhD. Ing. Mária Chromčíková, PhD. Ing. Hana Kaňková, PhD. Ing. Jozef Kraxner, PhD. Ing. Róbert Klement, PhD. Prof. Ing. Marek Liška, DrSc. Ing. Monika Michálková, PhD. Ing. Anna Prnová, PhD. doc. Ing. Alfonz Plško, PhD. doc. Ing. Peter Šimurka, CSc. Mgr. Peter Švančárek, PhD. Ing. Jana Vokelová Institute of Inorganic Chemistry SAS – Joint Glass Centre VILA

Institute of Inorganic Chemistry SAS – Joint Glass Centre VILA

Fields of scientific interest Relations between the composition, structure and properties of glass and advanced ceramic materials.

Glass Composition, structure, and properties of silicate glasses Melting and forming of glass Aluminate glasses with luminescent properties Corrosion of glass

Ceramics Alumina ceramics with submicron microstructure and added

functionalities Ceramic nanocomposites with oxide matrix Corrosion of advanced ceramics and bioceramics


Highlights Aluminate glasses with luminescent properties

• Flame synthesis of glass microspheres

• Characterisation of physical properties

• Luminescence properties • Applications:

• Energy saving lighting applications (HB-LEDs)

• Laser systems

VEGA • Corrosion of materials used in industrial glass melting P. Šimurka 2012 – 2015 • Structure and properties of oxide glasses: molecular dynamics,

thermodynamics modelling, crystallization, vibration and impedance spectroscopy

M. Chromčíková 2012 – 2014 • Ceramic coatings with glass fillers for high temperature corrosion

protection of metals D. Galusek 2014 – 2016 • New rare earth aluminates based inorganic phosphors for white light

emitting LED applications D. Galusek 2014 – 2017 Coordinator: Trenčin University of Alexander Dubček


Institute of Inorganic Chemistry SAS –Joint Glass Centre VILA


Bilateral • Thermodynamical modelling and structure of multicomponent glasses M. Chromčíková 2013-2014 SK-CZ • New rare earth free inorganic phosphors for energy saving lighting

applications D. Galusek 2013-2015 SK-Taiwan


APVV • Mechanisms of corrosion and micromechanical properties of dental materials D. Galusek 2012 – 2015 • Structure and properties of oxide glasses for applications in nuclear energy

production M. Liška 2012 – 2015

Future

Merging to bigger units

Centre for Natural Sciences and Materials

• Institute of Electrical Engineering

• Institute of Inorganic Chemistry

• Institute of Physics

• Polymer Institute

• Mathematical Institute

450 employees

Transformation of Slovak Academy of Sciences


institute of inorganic chemistry slovak academy of sciences · institute of inorganic chemistry sas...

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