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PREFACE<br />
This report covers a three-year period <strong>of</strong> the “life” at the <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong><br />
(IIC) <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences (SAS). In this time span many important events<br />
took place which in some sense formed the present status <strong>of</strong> the <strong>Institute</strong>. First <strong>of</strong> all, the<br />
<strong>Institute</strong> together with all 55 research institutes <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences underwent<br />
an international accreditation process in 2007. The final ranking <strong>of</strong> the Accreditation<br />
Committee based on the report <strong>of</strong> international panel and approved by the Presidium <strong>of</strong> SAS<br />
was for IIC SAS very positive since we were appointed as an “Institution <strong>of</strong> Category A* ” .<br />
This means that our <strong>Institute</strong> belongs to the best research institutes in the Slovak Academy <strong>of</strong><br />
Sciences. This status <strong>of</strong> IIC SAS was yearly confirmed at the internal evaluation <strong>of</strong> the<br />
institutes <strong>of</strong> SAS belonging to Section II. <strong>of</strong> SAS. Among 22 research institutions in this<br />
section, our <strong>Institute</strong> never finished worse than on the second position.<br />
In the period covered, several <strong>Institute</strong>s’ research teams achieved distinguished awards<br />
and honours. Two teams were awarded by the “Award <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences”,<br />
which is the highest scientific award conferred by the Presidium <strong>of</strong> SAS. One title “Scientist<br />
<strong>of</strong> the Year in the Slovak Republic” was conferred to an <strong>Institute</strong>’s representative; two<br />
scientists were awarded by the “Prize <strong>of</strong> the Slovak Literary Fund” for the highest number <strong>of</strong><br />
citations <strong>of</strong> their publications in last three years. Our PhD student was appointed “The Head<br />
<strong>of</strong> the Year” and “The Student Personality <strong>of</strong> the Year”.<br />
Several <strong>Institute</strong> members were invited to contribute to scientific books published by<br />
respectable scientific publishers. Our researchers presented more than 50 invited lectures at<br />
the international symposia/conferences all over the world.<br />
The <strong>Institute</strong> was involved in three FP6 projects. Two Centres <strong>of</strong> Excellence <strong>of</strong> the<br />
Slovak Academy <strong>of</strong> Sciences were established on the board <strong>of</strong> the <strong>Institute</strong> and two research<br />
groups got involved in the Centres <strong>of</strong> Excellence supported by the Slovak Research and<br />
Development Agency. The proposal for the “Centre for Materials, Layers and Systems for the<br />
Applications and Chemical Processes in the Extreme Environments” in the frame <strong>of</strong> the<br />
Structural Funds <strong>of</strong> the European Union was successfully submitted and approved in<br />
December 2008. Consequently, the Vice-premier <strong>of</strong> the Slovak government appointed our<br />
<strong>Institute</strong> the Centre <strong>of</strong> Excellence for the period <strong>of</strong> 2009 – 2013.<br />
1
This Triannual report includes the most important activities <strong>of</strong> the <strong>Institute</strong> in both basic<br />
and applied research during the period <strong>of</strong> 2006 to 2008. The structured budget development,<br />
running projects, organized meetings, invited guests are included in this report together with<br />
all important events and milestones. We are <strong>of</strong>fering the reader a comprehensive overview <strong>of</strong><br />
the <strong>Institute</strong> covering the three-year period in order to provide a chance to recognize the<br />
trends in the <strong>Institute</strong>s’ development.<br />
Finally, let me express my sincere thanks to Dr. Jana Madejová who compiled this report<br />
and also to Dr. Peter Komadel and Pr<strong>of</strong>. Jozef Noga for the corrections and pro<strong>of</strong>reading <strong>of</strong><br />
the manuscript.<br />
2
CONTENT<br />
STRUCTURE OF THE INSTITUTE OF INORGANIC CHEMISTRY..................................5<br />
INSTITUTE REPRESENTATIVES.......................................................................................6<br />
DIRECTOR OF IIC............................................................................................................6<br />
MANAGEMENT BOARD.................................................................................................6<br />
SCIENTIFIC BOARD........................................................................................................6<br />
ECONOMY AND SERVICES SECTION..........................................................................7<br />
INSTITUTE STAFF...........................................................................................................7<br />
HIGHLIGHTS OF THE IIC SCIENCE..................................................................................8<br />
SCIENTIFIC ACTIVITIES OF THE INSTITUTE...............................................................19<br />
1. CENTRES OF EXCELLENCE / NATIONAL CENTRES........................................19<br />
2. RESEARCH PROJECTS..........................................................................................20<br />
3. SCIENTIFIC OUTPUT............................................................................................24<br />
4. INTERNATIONAL CONFERENCES ORGANIZED BY THE INSTITUTE...........24<br />
5. INTERNATIONAL FELLOWSHIPS.......................................................................25<br />
6. LECTURES DELIVERED BY THE GUESTS OF THE INSTITUTE......................26<br />
7. INVITED LECTURES DELIVERED BY THE MEMBERS OF THE INSTITUTE 26<br />
8. AWARDS AND HONOURS....................................................................................31<br />
9. DEFENDED PhD. THESIS......................................................................................34<br />
10. MEMBERS OF THE EDITORIAL BOARDS..........................................................35<br />
11. COOPERATION WITH INDUSTRY.......................................................................36<br />
12. RESEARCH FUNDING...........................................................................................37<br />
13. EVENTS...................................................................................................................38<br />
IIC SAS DEPARTMENTS...................................................................................................43<br />
DEPARTMENT OF CERAMICS.....................................................................................45<br />
DEPARTMENT OF HYDROSILICATES.......................................................................51<br />
DEPARTMENT OF MOLTEN SYSTEMS......................................................................57<br />
DEPARTMENT OF THEORETICAL CHEMISTRY.......................................................63<br />
VITRUM LAUGARICIO (VILA)....................................................................................69<br />
3
STRUCTURE OF THE INSTITUTE OF<br />
INORGANIC CHEMISTRY<br />
5
INSTITUTE REPRESENTATIVES<br />
Pr<strong>of</strong>. RNDr. Pavol Šajgalík, DrSc.<br />
Secretary<br />
(as per December 2008)<br />
DIRECTOR OF IIC<br />
phone:<br />
e-mail:<br />
Zdena Kapišinská phone:<br />
fax:<br />
e-mail:<br />
web:<br />
Deputy Director<br />
MANAGEMENT BOARD<br />
Ing. Miroslav Boča, PhD. phone:<br />
e-mail:<br />
Chairman <strong>of</strong> the Scientific Board<br />
RNDr. Peter Komadel, DrSc. phone:<br />
e-mail:<br />
Secretary for Science<br />
RNDr. Jana Madejová, DrSc. phone:<br />
e-mail:<br />
Secretary for Education<br />
Ing. Miroslav Hnatko, PhD. phone:<br />
e-mail:<br />
SCIENTIFIC BOARD<br />
Chairman Vice-chairman<br />
6<br />
+421 2 59410 400<br />
pavol.sajgalik@savba.sk<br />
+421 2 59410 401<br />
+421 2 59410 444<br />
uachsekr@savba.sk<br />
http://www.uach.sav.sk<br />
+421 2 59410 490<br />
miroslav.boca@savba.sk<br />
+421 2 59410 464<br />
peter.komadel@savba.sk<br />
+421 2 59410 406<br />
jana.madejova@savba.sk<br />
+421 2 59410 415<br />
miroslav.hnatko@savba.sk<br />
RNDr. Peter Komadel, DrSc. RNDr. Jana Madejová, DrSc.<br />
<strong>Institute</strong> members External members<br />
Ing. Miroslav Boča, PhD. Pr<strong>of</strong>. Ing. Pavel Fellner, DrSc.<br />
RNDr. Juraj Bujdák, Dr. Pr<strong>of</strong>. Ing. Marek Liška, DrSc.<br />
Doc. Ing. Dušan Galusek, PhD. Pr<strong>of</strong>. RNDr. Jozef Noga, DrSc.<br />
Dr. Vladimír Malkin, DrSc.<br />
Ing. Zoltán Lenčéš, PhD.
Economy<br />
ECONOMY AND SERVICES SECTION<br />
Ing. Ján Piško, head phone:<br />
e-mail:<br />
Ing. Judita Lilová<br />
e-mail:<br />
Jaromíra Dankovičová<br />
e-mail:<br />
Anna Kovárová<br />
e-mail:<br />
Iveta Bouadjenak<br />
e-mail:<br />
Services<br />
Ján Maraffko mechanical workshop<br />
Jozef Sitár supply<br />
Alexandra Tonkovičová library<br />
Dana Matejkinová<br />
Terezia Pírová<br />
INSTITUTE STAFF<br />
7<br />
+421 2 59410 458<br />
jan.pisko@savba.sk<br />
judita.lilova@savba.sk<br />
jaromira.dankovicova@savba.sk<br />
anna.kovarova@savba.sk<br />
iveta.bouadjenak @savba.sk<br />
2006 2007 2008<br />
Researchers 40 41 46<br />
Technical Staff 21 22 24<br />
Administration 7 6 6<br />
Supporting Staff 5 5 5<br />
<strong>Institute</strong> Staff Total 73 74 81<br />
Average age (years) 46 43 43<br />
PhD. Students 10 8 4
HIGHLIGHTS OF THE IIC SCIENCE<br />
The scientific activity <strong>of</strong> the <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong> is concentrated to the<br />
fundamental, applied and industry oriented research <strong>of</strong> the inorganic systems suitable for<br />
design <strong>of</strong> new materials and/or technologies. Presented in the following pages are brief<br />
summaries <strong>of</strong> recent scientific highlights.<br />
New theoretical approaches for relativistic calculations <strong>of</strong> NMR<br />
parameters for compounds containing heavy elements<br />
M. Repiský, S. Komorovský, P. Hrobárik, O. L. Malkina, V. G. Malkin<br />
An accurate prediction <strong>of</strong> electronic structure and properties <strong>of</strong> compounds containing heavy<br />
elements obligatorily requires inclusion <strong>of</strong> relativistic effects into consideration. It means that<br />
instead <strong>of</strong> working with the Schrödinger equation one has to deal (in one way or other) with<br />
the Dirac equation extended for treatment <strong>of</strong> many-electron systems. Nowadays it becomes a<br />
common point that relativity has an especially immense effect on NMR shielding tensor and<br />
indirect nuclear spin-spin coupling constants (SSCC). Often calculations <strong>of</strong> those properties<br />
serve as a very delicate probe to test different ways <strong>of</strong> treating relativistic effects and the basis<br />
set quality. Lately we succeeded in the development <strong>of</strong> new relativistic four-component<br />
density functional approach based on the use <strong>of</strong> restricted magnetically balanced basis<br />
(mDKS-RMB) for calculations <strong>of</strong> NMR shielding [1]<br />
and indirect nuclear spin-spin coupling constants [2]. The<br />
unperturbed equations are solved with the use <strong>of</strong> a<br />
restricted kinetically balanced basis set for the small<br />
component, while to solve the second-order coupled<br />
perturbed DKS equations a restricted magnetically<br />
balanced basis set for the small component is applied.<br />
The method provides an attractive alternative to existing<br />
approximate two-component methods with transformed<br />
Hamiltonians for relativistic calculations <strong>of</strong> spin-spin<br />
coupling constants <strong>of</strong> heavy-atom systems. In particular,<br />
no picture-change effects arise in our method for<br />
property calculations. Pilot benchmark relativistic<br />
calculations show a high reliability <strong>of</strong> the mDKS-RMB<br />
methods. Recently, this method was extended to include<br />
GIAO (Gauge Including Atomic Orbitals) formalism.<br />
Our new method increases the accuracy in calculations<br />
<strong>of</strong> NMR and EPR parameters <strong>of</strong> compounds containing<br />
even as heavy elements as lanthanides or actinides.<br />
Further information: V. Malkin:<br />
vladimir.malkin@savba.sk<br />
1. Komorovský S., Repiský M., Malkina O. L., Malkin V. G., Malkin Ondik I., Kaupp M.: J. Chem.<br />
Phys. 128, 104101-1-104101-15, 2008<br />
2. Repiský M., Komorovský S., Malkina O. L., Malkin V. G.: Chem. Phys. 356, 236-242, 2009<br />
8
A model study <strong>of</strong> dickite intercalated with formamide<br />
and N-methylformamide<br />
E. Scholtzová, Ľ. Benco, D. Tunega<br />
The study <strong>of</strong> bonding <strong>of</strong> small molecules within the interlayer space <strong>of</strong> clay minerals<br />
enhances the understanding <strong>of</strong> the intercalation process and formation <strong>of</strong> contacts between<br />
intercalated molecule and host matrix. Local geometry and orientation <strong>of</strong> intercalated<br />
molecules <strong>of</strong> formamide (FA) and N-methylformamide (NMFA) in the clay mineral dickite<br />
(D) was studied by means <strong>of</strong> Density Functional Theory (DFT) calculations. Ten<br />
configurations with different orientation <strong>of</strong> the intercalated molecule were investigated for<br />
both D_FA (Fig. 1a) and D_NMFA intercalates. Four groups <strong>of</strong> relaxed structures sorted by<br />
the calculated total electronic energy were found in both cases (Fig. 1b). The experimental<br />
geometry <strong>of</strong> the D_FA intercalate was denoted as the most stable structure from the<br />
investigated models. The differences in the total electronic energy <strong>of</strong> all D_FA configurations<br />
are within the interval <strong>of</strong> ~92 kJ/mol. Formamide forms intercalates specifically and a close<br />
relation between the orientation <strong>of</strong> the FA molecules in the interlayer space and the stability<br />
<strong>of</strong> a particular configuration has been observed. On the other hand, N-methylformamide<br />
forms intercalated structures non-specifically. Small differences in the total energy, not larger<br />
than 18 kJ/mol, are observed for different orientations <strong>of</strong> the NMFA molecules The<br />
reorientation <strong>of</strong> the intercalated molecules has only a small effect on the stabilization <strong>of</strong> the<br />
D_NMFA intercalate what is in contrast with the D_FA intercalate. It was also observed that<br />
the experimental D_NMFA configuration is not the most stable. A small variation <strong>of</strong> the total<br />
electronic energy <strong>of</strong> different configurations correlates with small changes <strong>of</strong> the orientation<br />
<strong>of</strong> the dipole moment <strong>of</strong> the intercalated NMFA molecule.<br />
Structure model <strong>of</strong> D-FA intercalate (left); Calculated relative energies for ten model configurations<br />
<strong>of</strong> the D_FA and D_NMFA intercalates. (right)<br />
Further information: E. Scholtzová: eva.scholtzova@savba.sk<br />
Scholtzová E., Benco Ľ.,Tunega D.: Phys. Chem. Miner. 35, 299-309, 2008<br />
9
Organoclays and their applications<br />
J. Hrachová, Ľ. Jankovič, P. Komadel, J. Madejová, H. Pálková<br />
Montmorillonites (MMT), the main minerals in bentonites belonging to smectite group, are<br />
<strong>of</strong>ten used in many industrial applications, either in their natural form or after appropriate<br />
modification. Natural smectites with inorganic exchangeable cations, e.g. Ca 2+ or Na + , and<br />
their high affinity to water gives rise to hydrophilic character <strong>of</strong> smectite surface.<br />
Replacement <strong>of</strong> inorganic by organic (alkylammonium) cations changes the clay mineral<br />
surfaces to more hydrophobic. Final properties <strong>of</strong> organo-modified MMTs (organoclays)<br />
depend on their layer charge, the type <strong>of</strong> the organic cation used; the cation/clay mineral ratio,<br />
etc. For such materials higher stability upon mechanochemical or acid treatment was observed<br />
[1,2]. Montmorillonites in their natural forms are considered ineffective adsorbents <strong>of</strong> nonpolar<br />
organic compounds polluting frequently surface water because these compounds cannot<br />
effectively compete with highly polar water for adsorption sites on smectite surfaces.<br />
However, after exchange with organic cations with long alkyl chains adsorption on the<br />
smectites has been impressive. On the other side, smectite<br />
modified with small alkylammonium cations did not display<br />
much better adsorption abilities compared to their natural<br />
forms. Improvement was achieved only for low charged<br />
smectites. Nowadays, montmorillonite is the most widely used<br />
clay mineral as nan<strong>of</strong>iller because <strong>of</strong> its cation-exchange<br />
capacity and large active surface area when sufficiently<br />
delaminated. The layer thickness is ~1 nm, while the lateral<br />
dimensions <strong>of</strong> the layers vary up to several microns or even<br />
more, i.e. at least one dimension <strong>of</strong> the filler is in the<br />
nanometer range. Of particular interest is recently developed<br />
nanocomposite technology consisting <strong>of</strong> interactions <strong>of</strong> a<br />
polymer with an organoclay [3] Alkylammonium or<br />
alkylphosphonium cations in the organoclays lead to a<br />
decrease <strong>of</strong> the surface energy <strong>of</strong> the inorganic host and<br />
improve the wetting <strong>of</strong> the filler surface by polymer matrix,<br />
resulting in larger interlayer spacing. Additionally, these<br />
cations can provide functional groups that may react with the<br />
polymer matrix, or even initiate the polymerization <strong>of</strong><br />
monomers to improve interactions on the interface between<br />
the inorganic and the polymer matrix and to advance beneficial<br />
properties <strong>of</strong> nanocomposites.<br />
10<br />
Configuration <strong>of</strong> organic<br />
cations within interlayers<br />
<strong>of</strong> smectites<br />
Further information: J. Hrachová: jana.hrachova@savba.sk<br />
1. Hrachová J., Madejová J., Billik P., Komadel P., Fajnor V.Š.: J. Coll. Interf. Sci. 316, 589–595,<br />
2007<br />
2. Madejová J., Pálková H., Pentrák M., Komadel P.: Clays Clay Miner. 57, 392-403, 2009<br />
3. Hrachová J., Komadel P., Chodák I.: J. Mat. Sci. 43, 2012–2017, 2008
Molecular energy transfer in the systems based on layered silicates<br />
and organic dyes<br />
J. Bujdák, A. Czímerová, A. Čeklovský<br />
The formation <strong>of</strong> supramolecular assemblies <strong>of</strong> cationic dyes was observed in colloids and<br />
films <strong>of</strong> layered silicates. The distribution <strong>of</strong> dye molecules influenced the phenomenon <strong>of</strong><br />
energy transfer upon the excitation with visible light. Fluorescence spectroscopy indicated the<br />
intermolecular interactions based on a non-radiant energy transfer taking place between<br />
isolated dye cations and the supramolecules. For example, the energy transfer in a few<br />
nanometers’ scale was directly proven for more complex systems composed <strong>of</strong> two different<br />
dyes: oxazine and rhodamine. Molecules <strong>of</strong> rhodamine took a role <strong>of</strong> molecular antennas<br />
absorbing green light (λ=500-520 nm). Light absorption was accompanied with a non-radiant<br />
energy transfer to the molecules <strong>of</strong> the second dye, oxazine. The transfer was detected as a<br />
quenching <strong>of</strong> the light emission from the rhodamine (580 nm) in favour <strong>of</strong> the red light<br />
luminescence from oxazine (near 635 nm). Oxazine had not been directly excited by green<br />
light, and did not emit in rhodamine absence. The phenomenon shows how inorganic layered<br />
materials can be used to mediate the transfer <strong>of</strong> electromagnetic energy between adsorbed dye<br />
cations. The energy transfer yields were influenced by the distances between interacting<br />
molecules, which depended on the layer charge density <strong>of</strong> the silicate. These results could<br />
contribute to the development <strong>of</strong> novel types <strong>of</strong> hybrid materials potentially useful for laser or<br />
optical technologies.<br />
Scheme showing RET processes in the hybrids based on fluorescent dyes adsorbed on the<br />
surface <strong>of</strong> layered silicate particles. Using a suitable silicate and an optimal composition <strong>of</strong><br />
the hybrids, quenching by molecular aggregates (left) can be minimized in favour <strong>of</strong> the<br />
energy transfer leading to the emission from the energy acceptor (right).<br />
Further information: J. Bujdák: juraj.bujdak@savba.sk<br />
1. Bujdák J., Iyi N.: Chem. Mater. 18, 2618-2624, 2006<br />
2. Czímerová A., Bujdák J., Iyi N.: J. Photoch. Photob. A 187, 160-166, 2007<br />
11
Utilization <strong>of</strong> Slovak bentonites in environmental protection<br />
S. Andrejkovičová, P. Komadel, J. Madejová, M. Pentrák<br />
Pollution <strong>of</strong> the environment by toxic pollutants is a serious problem <strong>of</strong> present days.<br />
Bentonites are nano-sized materials utilized in isolating layers <strong>of</strong> waste dumps due to their<br />
excellent sealing properties. Among different types <strong>of</strong> barriers geosynthetic clay liners<br />
(GCLs) are <strong>of</strong>ten used to minimize contaminant transport from waste disposal sites. GCLs are<br />
factory fabricated thin layers, where bentonite is incorporated between geotextiles or bonded<br />
to a geomembrane. Bentonites are composed mainly <strong>of</strong> montmorillonite, the most common<br />
mineral <strong>of</strong> the smectite group. Chemical composition <strong>of</strong> montmorillonite, its sorption and<br />
swelling capacity and stability in acid or alkali solutions significantly affect the utilization <strong>of</strong><br />
bentonite. In Slovakia Al-rich bentonite from Jelšový Potok (JP) deposit and Fe-rich bentonite<br />
from Lieskovec (L) deposit are extensively investigated for their application in environment<br />
protection. Basic geotechnical properties such as liquid and plasticity limit, free swelling and<br />
permeability coefficient were<br />
determined to ascertain if<br />
bentonite from Lieskovec can<br />
be used for GCL applications.<br />
The permeability coefficients<br />
<strong>of</strong> the order <strong>of</strong> 10 -11 m.s -1<br />
suggested possible suitability<br />
<strong>of</strong> this bentonite for GCLs;<br />
however, other geotechnical<br />
properties provided insufficient<br />
values. Therefore the blends <strong>of</strong><br />
L-bentonite and JP-bentonite<br />
with ratios 65:35, 75:25, 85:15<br />
were prepared and tested. After<br />
natrification <strong>of</strong> the blends all<br />
Scheme <strong>of</strong> geosynthetic clay liner with bentonite filler<br />
geotechnical parameters markedly improved compared to L-bentonite. Properties <strong>of</strong> the<br />
mixtures containing 65 mass % <strong>of</strong> Na-L and 35 mass % <strong>of</strong> Na-JP bentonite were above those<br />
required for bentonites used in GCL for reliable protecting <strong>of</strong> the environment.<br />
Interactions <strong>of</strong> acid or alkali solutions with bentonites can significantly affect their<br />
properties and, consequently, theirutilization in GCLs. For example, acid attack on bentonites<br />
results in gradual damage <strong>of</strong> montmorillonite layers and formation <strong>of</strong> a protonated amorphous<br />
silica phase. The IR spectroscopy in the near region was found to be a simple, fast and very<br />
powerful method to follow structural changes occurring upon clay minerals dissolution in<br />
inorganic acids. The OH overtone band at 7312 cm -1 revealed the creation <strong>of</strong> the Si-OH<br />
groups even in the mildly-treated samples <strong>of</strong> L-bentonite. Similar changes observed in the<br />
NIR spectra <strong>of</strong> different clay minerals confirm that the mechanism <strong>of</strong> the clay minerals<br />
dissolution in inorganic acids is the same regardless <strong>of</strong> the structural arrangement and<br />
chemical composition <strong>of</strong> the mineral.<br />
Further information: S. Andrejkovičová: slavka.andrejkovicova@savba.sk<br />
1. Andrejkovičová S., Rocha F., Janotka I., Komadel P.: Geotext. Geomembranes 26, 436-445, 2008<br />
2. Madejová J., Pentrák M., Pálková H., Komadel P.: Vib. Spectrosc. 49, 211–218, 2009<br />
12
Ceramics nano-composites for the high temperature applications<br />
P. Šajgalík, Š. Lojanová, M. Hnatko, Z. Lenčéš<br />
Silicon nitride based nano-composites<br />
containing silicon carbide nanoinclusions<br />
were prepared by in situ<br />
reactions at the temperature <strong>of</strong> sintering.<br />
Different rare-earth oxides (RE = La,<br />
Nd, Sm, Y, Yb, Lu) were used as<br />
sintering additives. SiC nano-inclusions<br />
were formed by carbothermal reduction<br />
<strong>of</strong> intentionally added fine SiO2. Dense<br />
Si3N4/SiC nano-composites have<br />
exceptional mechanical properties,<br />
especially high temperature creep<br />
resistance. Composite prepared by<br />
addition <strong>of</strong> lutetia has a creep rate<br />
1.6 x 10 –9 s –1 at 1350 °C and 100 MPa<br />
loading.<br />
This value is much lower than the<br />
average values <strong>of</strong> creep rate<br />
commercially available materials and<br />
predetermines this nano-composite for<br />
the high-temperature applications in<br />
extreme conditions. Interestingly also<br />
room temperature properties <strong>of</strong> this<br />
nano-composite were reasonably high.<br />
Lutecia containing nano-composite has<br />
the highest hardness (17.6 ± 0.5 GPa),<br />
quite high fracture toughness (5.0 ± 0.2<br />
MPa⋅m 1/2 ) and strength (652 ± 56 MPa).<br />
All these properties predetermine this<br />
nano-composite for the applications in<br />
extreme conditions, e.g. material for<br />
ceramic glow plug is one <strong>of</strong> the<br />
possibilities.<br />
Further information: P. Šajgalík: pavol.sajgalik@savba.sk<br />
1. Šajgalík P., Hnatko M., Lenčéš Z., Dusza J., Kašiarová M.: Int. J. Appl. Ceram. Technol. 3, 41-46,<br />
2006<br />
2. Šajgalík P, Hnatko M., Lojanová Š., Lenčéš Z., Pálková H., Dusza J.: Int. J. Mater. Res. 97, 772-<br />
777, 2006<br />
3. Dusza J., Kašiarová M., Vysocká A., Špaková J., Šajgalík P.: High Temp. Mater. Process. 26, 7-<br />
16, 2007<br />
13<br />
SiC nano-<br />
inclusions<br />
1µm<br />
Microstructure <strong>of</strong> Si3N4/SiC nano-composites<br />
Deformation/creep <strong>of</strong> prepared lutecia doped ceramic<br />
nano-composite is almost negligible comparing to the<br />
deformation
Low cost SiAlON from hydrosilicates with high hardness<br />
and good corrosion resistance<br />
J. Křesťan, T. Plachký, Z. Lenčéš, Z. Pánek, P. Šajgalík<br />
Raw hydrosilicate materials (pyrophyllite and kaoline supplied by Envigeo, Inc. Slovakia)<br />
were used for the preparation <strong>of</strong> cheap β-SiAlON ceramics. Conversion <strong>of</strong> hydrosilicates to<br />
powder precursors (Si3N4 and AlN) was carried out by carbothermal reduction and nitridation<br />
(CRN) process. The preparation <strong>of</strong> powder precursor from raw materials by CRN with<br />
defined phase and chemical composition, which can be transformed to β-SiAlONs at higher<br />
temperatures, depends on the temperature, time, gas flow rate in the reactor, particle size <strong>of</strong><br />
reactants and the construction <strong>of</strong> reactor. All processing parameters were optimized<br />
experimentally for both starting powders, i.e. pyrophyllite and kaoline.<br />
The powder precursors were mixed with an appropriate amount <strong>of</strong> Al2O3 yielding β-<br />
SiAlON with the z-value <strong>of</strong> 3.7 (in the general formula Si6-zAlzOzN8-z) after hot pressing in a<br />
graphite resistance furnace at 1750°C for 2 hours in nitrogen atmosphere. Reference β-<br />
SiAlON was prepared for a comparison from the mixture <strong>of</strong> commercial powders (AlN,<br />
Al2O3, and Si3N4) under the same sintering conditions. The mechanical properties <strong>of</strong> kaoline<br />
derived β-SiAlON are similar to the reference SiAlON with a Vickers hardness (HV1) <strong>of</strong><br />
15.5 GPa and fracture toughness (KIC) <strong>of</strong> 4.5 MPa⋅m 1/2 . β-SiAlON prepared from pyrophyllite<br />
exhibits the best mechanical properties (HV1 = 18.4 GPa, K1C = 5.5 MPa⋅m 1/2 ).<br />
The corrosion behaviour <strong>of</strong> prepared β-SiAlONs<br />
was tested in molten steel, molten aluminium and<br />
relative fluoride and chloride fluxes used in the<br />
aluminium metallurgy. The corrosion layer in<br />
hydrosilicate-derived β-SiAlONs after tests in molten<br />
steel is two times thicker compared to reference<br />
material, but the service life is still three times longer<br />
compared to the commonly used alumina based<br />
materials. Moreover, all the prepared β-SiAlONs<br />
exhibit excellent corrosion resistance against molten<br />
chlorides and aluminium. The corrosion resistance <strong>of</strong><br />
β-SiAlONs (with high z-value) against molten<br />
fluorides is also acceptable. The results show that<br />
these relatively cheap hydrosilicate-derived β-<br />
SiAlONs can be applied in the aluminium and steel<br />
industry.<br />
14<br />
Ceramic part for steel-making<br />
ladles prepared from pyrophyllite<br />
precursor<br />
Further information: Z. Lenčéš: zoltan.lences@savba.sk<br />
1. Křesťan J., Pritula O., Smrčok Ľ., Šajgalík P., Lenčéš Z., Wannberg A., Monteverde F.: J. Eur.<br />
Ceram. Soc. 27, 2137-2143, 2007<br />
2. Plachký T., Křesťan J., Korenko M., Medri V., Lenčéš Z., Šajgalík P.: J. Ceram. Soc. Japn. 117,<br />
482-488, 2009
High temperature liquids: Specialized equipments for measuring<br />
<strong>of</strong> molten fluoride salts<br />
M. Boča, M. Kucharík, M. Korenko, B. Kubíková, F. Šimko, Ľ. Smrčok<br />
<strong>Inorganic</strong> melts based on fluoride salts are extremely corrosive; investigation <strong>of</strong> their<br />
properties meets with remarkable technical problems. We have succeeded in implementation<br />
<strong>of</strong> modern techniques for research <strong>of</strong> microscopic properties through collaboration with<br />
internationally accessible laboratories. Macroscopic properties, such as phase equilibria,<br />
thermodynamic quantities, density, viscosity and interfacial and surface tension were<br />
measured using commercially inaccessible equipment for research prepared and build in our<br />
laboratories.<br />
Highly time consuming experiments provide important data mainly for industrial<br />
applications. However, conclusions based solely on these results on processes occurring in<br />
molten systems lack direct prove, they need further support. It was achieved via<br />
implementation <strong>of</strong> new techniques like Rapid Solidification Processing and diffraction<br />
experiments using neutron and synchrotron radiation. This approach <strong>of</strong> the team and the<br />
results obtained were honoured by the Slovak Academy <strong>of</strong> Sciences Award in 2008.<br />
Neutron diffraction detector – Hahn-Meitner-Institut – Berlin<br />
Further information: M. Boča: miroslav.boca@savba.sk<br />
Korenko M., Kucharík M., Janičkovič D.: Chem. Pap. 62, 219-222, 2008<br />
15
High temperature liquids: Nanotubes formed from rapidly cooled<br />
melts <strong>of</strong> alumina saturated cryolite<br />
M. Kucharík, M. Korenko, B. Kubíková, F. Šimko<br />
So-called Rapid Solidification Processing (RPS) was used to obtain more information on<br />
the structure <strong>of</strong> deeply undercooled cryolite-alumina melts. It involved a rapid quenching <strong>of</strong><br />
the melt by cooling rate <strong>of</strong> ~10 6 K.s -1 . The RSP is more frequently used in a different field <strong>of</strong><br />
material engineering - for preparation <strong>of</strong> special amorphous materials such as glassy metals <strong>of</strong><br />
interesting properties. Cryolite and alumina are the main constituents <strong>of</strong> the electrolytes in the<br />
industrial production <strong>of</strong> aluminium by the Hall-Héroult process. SEM analysis has shown an<br />
additional feature <strong>of</strong> RPS application. The mass <strong>of</strong> nanotubes on the surface <strong>of</strong> so prepared<br />
undercooled melts mainly on the randomly shaped aggregates was observed. These nanotubes<br />
having usually a square shape in cross-section were preferentially located on the defect places<br />
<strong>of</strong> the surface with approximate dimensions <strong>of</strong> the base ~100 x 100 nm and the length ~1000<br />
nm. HR-TEM and EDX analyses <strong>of</strong> a lamella cut out <strong>of</strong> the prepared aggregates indicated that<br />
cryolite alone formed these nanotubes. However, alumina evidently played some role in the<br />
process <strong>of</strong> crystallization <strong>of</strong> the nanotubes since no similar features were observed on the<br />
surface <strong>of</strong> pure cryolite samples. Further investigation is in progress.<br />
Nanotubes formed from rapidly cooled melts <strong>of</strong> alumina saturated cryolite<br />
Further information: M. Korenko: michal.korenko@savba.sk<br />
Korenko M., Kucharík M., Vincenc Oboňa J., Janičkovič D., Córdoba R., De Teresa J.M., Kubíková<br />
B.: Helv. Chim. Acta 91, 1389-1399, 2008<br />
16
Laboratory-scale examination <strong>of</strong> foam formation and its stability<br />
during E-glass melting<br />
M. Liška, J. Kraxner, R. Klement<br />
In the frame <strong>of</strong> the project APVV20-P06405 “Optimization <strong>of</strong> E-glass melting” the Joint<br />
Glass Centre Vitrum Laugaricio developed experimental equipment for laboratory-scale<br />
examination <strong>of</strong> foam formation and its stability during glass batch melting. In cooperation<br />
with the glassworks Johns Manville Slovakia (JMS), Inc., Trnava the formation and stability<br />
<strong>of</strong> foam during melting <strong>of</strong> E-glass batch was investigated. The essence <strong>of</strong> industrial scale<br />
experiment performed in the glassworks JMS comprised the modification <strong>of</strong> the glass batch –<br />
gradual replacement <strong>of</strong> boric acid with colemanite. Simultaneously, the stability <strong>of</strong> foam<br />
during glass batch melting was investigated under reproducible and constant conditions in<br />
laboratory, which facilitated separation <strong>of</strong> the influence <strong>of</strong> the replacement <strong>of</strong> boric acid with<br />
colemanite from other process parameters. Laboratory tests indicated statistically significant<br />
trend <strong>of</strong> decreasing <strong>of</strong> the foam stability when boric acid was replaced with colemanite. The<br />
results allowed the increase <strong>of</strong> melting capacity without impairing the quality <strong>of</strong> produced Efibers.<br />
Development <strong>of</strong> foam amount in dependence <strong>of</strong> time. Red line shows the surface <strong>of</strong> glass<br />
melt.<br />
Further information: M. Liška: Liska@tnuni.sk<br />
17
Transparent armours with enhanced ballistic resistance<br />
D. Galusek, M. Michálková, J. Sedláček, P. Švančárek<br />
The cooperation <strong>of</strong> the Joint Glass Centre Vitrum Laugaricio with the partners from Czech<br />
Republic, Russia and Ukraine in development <strong>of</strong> transparent ceramic ballistic protections was<br />
focused on research and development <strong>of</strong> transparent alumina-based materials with excellent<br />
mechanical properties. The principal problem addressed by the project was the development<br />
<strong>of</strong> practical material, technological, and construction solutions <strong>of</strong> a new generation <strong>of</strong><br />
transparent armour systems with a protection capacity against AP small calibre ammunition<br />
(7,62 x 51 AP) comparable to recently produced thick layered armour concepts made <strong>of</strong><br />
strengthened float glass at simultaneous significant reduction <strong>of</strong> weight and thickness. The<br />
result is the solution <strong>of</strong> layered armour system with ultra hard impact layers made <strong>of</strong> sapphire<br />
single crystal, which at the total thickness <strong>of</strong> 60 mm provides the same level <strong>of</strong> ballistic<br />
protection as a layered glass <strong>of</strong> the thickness 120 - 140 mm. The armour has been successfully<br />
tested at the certified shooting range in Slavicin, Czech Republic, and earned the certificate<br />
for the Level 3 protection according to the STANAG 4569 standard.<br />
Fig. 1 Sample <strong>of</strong> bullet pro<strong>of</strong> window with<br />
surface sheet made <strong>of</strong> sapphire single<br />
crystal. The sample was exhibited at the<br />
presentation <strong>of</strong> accomplishments <strong>of</strong> the<br />
NATO scientific programmes at NATO<br />
headquarters in Brussels and at the IDET<br />
trade fair in Brno.<br />
Further information: D. Galusek: Galusek@tnuni.sk<br />
Fig. 2 Protective shutters on the tested<br />
transparent armour. A network <strong>of</strong> cracks can be<br />
seen after the second hit with an AP bullet with<br />
ultra hard WC core. The armour successfully<br />
defeated three hits with the AP bullet with<br />
impact velocity 930 m/s. Such bullet can pierce<br />
a 20 mm thick steel armour.<br />
18
SCIENTIFIC ACTIVITIES OF THE<br />
INSTITUTE<br />
1. CENTRES OF EXCELLENCE / NATIONAL CENTRES<br />
• Centre <strong>of</strong> excellence <strong>of</strong> SAS: NANOSMART – Centre <strong>of</strong> the nanostructured<br />
materials; coordinator from IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; 2007 – 2010. The aim<br />
<strong>of</strong> the centre is to conduct research and development <strong>of</strong> advanced materials, mainly<br />
aluminium based metallic alloys, ceramic high-temperature superconductors and ceramic<br />
engineering materials with respect to their structure on the nanolevel.<br />
• Centre <strong>of</strong> excellence <strong>of</strong> SAS: COMCHEM – Centre for advanced computational<br />
chemistry; principal coordinator from IIC: Pr<strong>of</strong>. RNDr. J. Noga, DrSc.; coordinator from<br />
IIC: Dr. V. Malkin, DrSc.; 2007 – 2010. The purpose <strong>of</strong> the centre is to improve the<br />
effectiveness and the quality <strong>of</strong> the research covering a broader spectrum <strong>of</strong> specific<br />
interests – from the development <strong>of</strong> new, progressive methods for highly accurate<br />
calculations <strong>of</strong> molecules, through applications <strong>of</strong> such methods in determining the<br />
structure, properties and reactivity <strong>of</strong> small to middle size molecules, to molecular<br />
mechanics studies <strong>of</strong> polymer aggregation or modeling <strong>of</strong> the condensed phase focused to<br />
materials research.<br />
• Centre <strong>of</strong> excellence <strong>of</strong> APVV: MEPA – Magnetoactivity, electroactivity and<br />
photoactivity <strong>of</strong> coordination compounds; VVCE-0004-07; coordinator from IIC: Dr.<br />
O. Malkin, DrSc.; 2008 – 2011. The aim <strong>of</strong> the centre is to prepare new inorganic<br />
materials, to characterize their composition, structure, and electronic structure, to identify<br />
their magnetic, electric and optical properties, to interpret these properties at the<br />
contemporary level <strong>of</strong> theories, and eventually to shift the theory to a higher level, with<br />
the final target not only to describe, but also to understand the mentioned properties and<br />
processes from the polyfunctional point <strong>of</strong> view.<br />
• Centre <strong>of</strong> excellence <strong>of</strong> APVV: SOLIPHA – Research and education centre <strong>of</strong><br />
excellence for solid phase research focused on nanomaterials, environmental<br />
mineralogy and material science; VVCE-0033-07; coordinator from IIC: RNDr. P.<br />
Komadel, DrSc.; 2008 – 2011. The principal objective <strong>of</strong> the research within the centre is<br />
the investigation <strong>of</strong> solid phases at the micro- and nano-levels. The research is focused on<br />
questions <strong>of</strong> environmental pollution related to mining activities, sustainable exploitation<br />
<strong>of</strong> raw materials, study <strong>of</strong> nanomaterials, material science and associated technologies.<br />
• Vitrum Laugaricio, Joint Glass Centre (VILA), founded in 2003, is based on a<br />
contract between the <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong>, Alexander Dubček University in<br />
Trenčín, Faculty <strong>of</strong> Chemical and Food Technology <strong>of</strong> the Slovak University <strong>of</strong><br />
Technology in Bratislava and RONA, j.s.c. The centre is a unique combination <strong>of</strong> the<br />
institutions involved in one research and education centre. The fundamental and applied<br />
research in the centre is represented by the IIC SAS, university education by the<br />
Alexander Dubček University <strong>of</strong> Trenčín and Faculty <strong>of</strong> Chemical and Food Technology,<br />
and the glassworks RONA, j.s.c. represents the industrially oriented research and<br />
development. The ultimate goal <strong>of</strong> the centre is to utilize the synergy effect <strong>of</strong><br />
participation <strong>of</strong> all four partners in order to preserve high level <strong>of</strong> research in the field <strong>of</strong><br />
19
oxide glasses and ceramic materials, and to prepare the graduates for both research and<br />
industrial careers.<br />
• MULTIDISC – Centre for the multidisciplinary research <strong>of</strong> advanced materials;<br />
coordinator from IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; 2005 – 2009. The aim <strong>of</strong> the centre<br />
is to develop the infrastructure necessary for the characterization <strong>of</strong> advanced materials<br />
on the submicrometre level.<br />
2. RESEARCH PROJECTS<br />
Multilateral International Projects<br />
FP6 Projects<br />
• FUNMIG (FP6-EURATOM): Fundamental processes <strong>of</strong> radionuclide migration,<br />
No: 516514; coordinator from IIC: Dr. V. Malkin, DrSc.; project coordinator: Dr. G.<br />
Buckau, <strong>Institute</strong> for Nuclear Waste Disposal, Research Center Karlsruhe, Germany;<br />
2005 – 2008<br />
• SMART (FP6): Foresight action for multifunctional materials technology, No: SSA-<br />
517045; coordinator from IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; project coordinator: Dr. G.<br />
Schumacher, Forschungszentrum Jülich, Germany; 2005 – 2007<br />
• PolyCerNet(FP6): Tailored multifunctional polymer-derived nanoceramics, No:<br />
MRTN-CT-2005-019601; coordinator from IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; project<br />
coordinator: Pr<strong>of</strong>. G. D. Soraru, Università degli studi di Trento, Italy; 2006 – 2009<br />
NATO Project<br />
• NATO SfP: Light weight and transparent armours, No: CBP-NR-SFPP-981770;<br />
coordinator from IIC: Doc. Ing. D. Galusek, PhD.; project coordinator: Dr. Alfred Sinani,<br />
I<strong>of</strong>fe Phys.-Tech. <strong>Institute</strong> <strong>of</strong> the Russian Academy <strong>of</strong> Sciences, St. Petersburg, Russia;<br />
2006 – 2009<br />
COST Projects<br />
• COST <strong>Chemistry</strong> Action WG D18/02: Lanthanide chemistry for diagnostic and<br />
therapy; coordinator from IIC: Dr. V. Malkin, DrSc.; project coordinator: Pr<strong>of</strong>. A.<br />
Merbach, Institut de chimie moléculaire et biologique, École Polytechnique Fédérale de<br />
Lausanne; 1999–2006<br />
• COST <strong>Chemistry</strong> Action WG D26/12: Towards a new level <strong>of</strong> accuracy in<br />
computations <strong>of</strong> molecular structure, molecular properties, spectroscopy and<br />
thermo-chemistry; project coordinator: Pr<strong>of</strong>. RNDr. J. Noga, DrSc.; 2002 – 2007<br />
Other International Projects<br />
• New Clay – Nanosemiconductive hybrids; coordinator from IIC: RNDr. Peter<br />
Komadel, DrSc.; partner: Department <strong>of</strong> Materials Science and Engineering, University<br />
<strong>of</strong> Ioannina, Greece; 2005 – 2006<br />
20
• Structure and solubility <strong>of</strong> niobium complexes: high temperature and high<br />
resolution solid state NMR study <strong>of</strong> the system; coordinator from IIC: Ing. František<br />
Šimko, PhD.; partner: Conditions Extremes et Materiaux: Haute Temperature et<br />
Irradiation, CNRS Orleans, France; 2005 – 2006<br />
• α-SiAlON with needle-like microstructure for wear applications; coordinator from<br />
IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; partner: Anadolu University, Faculy <strong>of</strong> Engineering<br />
and Architecture, Department <strong>of</strong> Materials Science and Engineering, Turkey; 2006 –<br />
2007<br />
• Processing and properties <strong>of</strong> Si-based ternary nitrides as sintering additives and<br />
phosphors; JSPS – SAS project; coordinator from IIC: Ing. Zoltán Lenčéš, PhD.;<br />
partner: Advanced Manufacturing Research <strong>Institute</strong>; AIST Nagoya, Japan; 2006 – 2007<br />
• Sorption <strong>of</strong> glyphosate on clay minerals; coordinator from IIC: RNDr. Peter Komadel,<br />
DrSc.; partner: Geological Survey <strong>of</strong> Denmark and Greenland, 2006 – 2007<br />
• Chemical evolution <strong>of</strong> inorganic substances to amino acids, peptides and protein<br />
precursors on the primordial Earth; coordinator from IIC: RNDr. J. Bujdák, PhD.;<br />
partner: <strong>Institute</strong> for General, <strong>Inorganic</strong> and Theoretical <strong>Chemistry</strong>, University <strong>of</strong><br />
Innsbruck, Austria; 2006 – 2008<br />
• Atomic level aspects <strong>of</strong> advanced cementitious materials; coordinator from IIC:<br />
RNDr. M. Drábik, CSc.; partner: University <strong>of</strong> Surrey (<strong>Chemistry</strong> C4), UK; 2006 – 2012<br />
• Novel porous materials based on layered silicates; coordinator from IIC: RNDr. J.<br />
Madejová, DrSc.; partner: <strong>Institute</strong> <strong>of</strong> Catalysis and Surface <strong>Chemistry</strong>, PAS, Krakow,<br />
Poland; 2007 – 2009<br />
• Characterisation and mechanical properties <strong>of</strong> SiCO ceramics; coordinator from IIC:<br />
pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.; partner: Institut für Materialwissenschaft, Fachbereich<br />
Material- und Geowissenschaften, Technische Universität Darmstadt, Germany; 2007 –<br />
2008<br />
• Anisotropic fluorescent thin films based on organic dyes embedded in layered<br />
inorganics; coordinator from IIC: RNDr. J. Bujdák, PhD.; partners: National <strong>Institute</strong> for<br />
Materials Science (NIMS), Tsukuba, Japan; Yamaguchi University, Graduate School <strong>of</strong><br />
Medicine, Yamaguchi, Japan; Division <strong>of</strong> Applied <strong>Chemistry</strong>, Tokyo Metropolitan<br />
University, Tokyo; 2008 – 2010<br />
• New hybrid materials based on fluorescent polymers on inorganic carriers;<br />
coordinator from IIC: RNDr. J. Bujdák, PhD.; partner: <strong>Institute</strong> <strong>of</strong> Polymers, Bulgarian<br />
Academy <strong>of</strong> Sciences, S<strong>of</strong>ia, Bulgaria; 2008 – 2010<br />
• Experimental study <strong>of</strong> molten fluoride salts as coolants in advanced high<br />
temperature reactors; coordinator from IIC: Ing. F. Šimko, PhD.; partner: Conditions<br />
Extremes et Materiaux: Haute Temperature et Irradiation, CNRS Orleans, France; 2008 –<br />
2009<br />
21
Projects <strong>of</strong> National Grant Agencies<br />
APVV Projects<br />
Coordinated by IIC<br />
• Application <strong>of</strong> DFT based methods for interpretation <strong>of</strong> NMR and EPR spectra <strong>of</strong><br />
inorganic compounds (with emphasis on transition metal complexes) and<br />
biosystems, APVT-51-045502, 2003 – 2006, Dr. V. Malkin, DrSc.<br />
• The physico-chemical and thermodynamic properties <strong>of</strong> the industrial molten<br />
fluoride systems on the base <strong>of</strong> aluminium, niobium and tantalum, APVT-51-<br />
008104, 2005 – 2007, Ing. M. Korenko, PhD.<br />
• Organic modifications <strong>of</strong> natural nanomaterials, APVV-51-050505, 2006 – 2009,<br />
RNDr. P. Komadel, DrSc.<br />
• Anisotropical energy transfer in hybrid nanomaterials based on layered silicates<br />
with organic dyes, APVV-51-027405, 2006 – 2009, RNDr. J. Bujdák, PhD.<br />
• Advanced ceramic materials for the photo-thermo-mechanical conversion system <strong>of</strong><br />
solar thermal engine based on the steam cycle, APVV-0448-06, 2007 – 2009, Ing. Z.<br />
Lenčéš, PhD.<br />
• Towards a higher accuracy in relativistic calculations <strong>of</strong> electronic structure and<br />
magneto-resonance spectra <strong>of</strong> compounds containing heavy elements, APVV-0625-<br />
06, 2007 – 2009, Dr. V. Malkin, DrSc.<br />
• Research <strong>of</strong> ceramics materials for high corrosive environments, APVV-0171-06,<br />
2007 – 2009, Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
• Polymer derived nano-ceramic with controlled crystallinity, RPEU-0013-06, 2007 –<br />
2009, Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
Sub-coordinated by IIC<br />
• Magnetostructural correlations in unconvential magnetic materials, APVT-20-<br />
005204, 2005 – 2007, Ing. M. Boča, PhD.<br />
• Optimisation <strong>of</strong> EUTAL glass melting, APVT-20-P06405, 2005 – 2007, Pr<strong>of</strong>. Ing. M.<br />
Liška, DrSc.<br />
• Properties <strong>of</strong> molecules with complicated electronic structure: Sophisticated<br />
calculations and predictions <strong>of</strong> spectroscopic and electric properties, APVV 018405,<br />
2006 – 2009, Pr<strong>of</strong>. RNDr. J. Noga, DrSc.<br />
• Alumina-based electroceramics for advanced plasma sources, APVV 0485-06, 2007<br />
– 2009, Doc. Ing. D. Galusek, PhD.<br />
• Micro-CHP unit based on solid biomass burning, APVV-0517-07, 2008 – 2010, Ing.<br />
Z. Lenčéš, PhD.<br />
VEGA Projects<br />
• Ceramic nanocomposites, VEGA-2/4072, 2004 – 2006, Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
22
• The formation <strong>of</strong> ox<strong>of</strong>luoroaluminates and Si and V impurities behaviour in the<br />
system NaF-AlF3-Al2O3, VEGA-2/4071, 2004 – 2006, Ing. I. Nerád, CSc.<br />
• <strong>Chemistry</strong> and selected technological consequences <strong>of</strong> the effects <strong>of</strong> moisture and<br />
sulfates in cement-based materials, VEGA-2/5011, 2005 – 2007, RNDr. M. Drábik,<br />
CSc.<br />
• Physical and chemical properties <strong>of</strong> layer silicates related to their environmental<br />
applications, VEGA-2/6177, 2006 – 2008, RNDr. P. Komadel, DrSc.<br />
• Supramolecular assemblies based on the molecular aggregates <strong>of</strong> organic dyes on<br />
the surface <strong>of</strong> layered silicates, VEGA-2/6180, 2006 – 2008, RNDr. J. Bujdák, PhD.<br />
• The study <strong>of</strong> the fluoride molten-salts systems with the potential for industrial<br />
application, VEGA-2/6179, 2006 – 2008, Ing. M. Boča, PhD.<br />
• Structure and dynamics <strong>of</strong> hydrogen bonds in solids by neutron diffraction,<br />
quantum chemistry and inelastic netron scattering (INS), VEGA-2/6178, 2006 –<br />
2008, RNDr. Ľ. Smrčok, CSc.<br />
• Towards detailed knowledge <strong>of</strong> electronic structure from quantum chemical<br />
calculation, VEGA-2/6182, 2006 – 2008, Dr. O. Malkina, DrSc.<br />
• Transparent alumina-based materials with outstanding mechanical properties,<br />
VEGA-2/6181, 2006 – 2008, Doc. Ing. D. Galusek, PhD.<br />
• Structure and properties <strong>of</strong> silicate glasses – thermodynamical models and<br />
molecular dynamics simulations vs. experiment, VEGA-1/3578, 2006 – 2008, Pr<strong>of</strong>.<br />
Ing. M. Liška, DrSc.<br />
• Ceramic composites with uncommon sintering and microstructure forming<br />
additives, VEGA-2/7171, 2007 – 2009, Ing. Z. Lenčéš, PhD.<br />
• The behaviour <strong>of</strong> impurities in industrial acid electrolytes for aluminium<br />
production, VEGA-2/7077, 2007 – 2009, Ing. F. Šimko, PhD.<br />
• Relations <strong>of</strong> chemical changes and physico-mechanical properties <strong>of</strong> selected<br />
materials based on cement, VEGA-2/0055, 2008 – 2010, RNDr. M. Drábik, CSc.<br />
Projects supported by European Social Fund<br />
• Project ESF No. 13120200048: Sciental and technological transfer in research and<br />
development <strong>of</strong> natural nanomaterials, 2005 – 2008; principal coordinators: P. Uhlík<br />
and S. Šoltés, Faculty <strong>of</strong> Natural Sciences, Comenius University in Bratislava, Slovakia;<br />
coordinators from IIC: RNDr. P. Komadel, DrSc., RNDr. J. Madejová, DrSc.<br />
http://www.pvoc.sk/nano/index.php<br />
• Project ESF No. 13120200055: Claster <strong>of</strong> advanced studies – development <strong>of</strong> the<br />
next studiedness in the multidisciplinary research and development <strong>of</strong> progressive<br />
materials and nanomatarials with respect to the sustainable development, 2005 –<br />
2008; principal coordinator: Dr. Eva Majková, <strong>Institute</strong> <strong>of</strong> Physics SAS, Bratislava,<br />
Slovakia; coordinator from IIC: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
• Projekt ESF No. 13120200076: MATNET – Establishment <strong>of</strong> the R&D and<br />
Innovative Network for the Field <strong>of</strong> Materials and Joining Technology, 2005 – 2008;<br />
principal coordinator: Dr. Jaroslav Jerz, <strong>Institute</strong> <strong>of</strong> Materials and Maschine Mechanics,<br />
Bratislava, Slovakia; coordinator from IIC: Ing. M. Hnatko, PhD.<br />
23
3. SCIENTIFIC OUTPUT<br />
24<br />
2006 2007 2008<br />
Chapters in Monographs 1 1 6<br />
Papers in International Reviewed Journals 58 60 50<br />
Papers in other Journals 3 3 6<br />
Papers in Proceedings 14 17 31<br />
Invited Lectures at International Conferences 13 14 22<br />
Other Contributions at International Conferences 68 64 46<br />
Invited Lectures in <strong>Institutions</strong> Abroad 5 3 8<br />
SCI Citations to Publications 830 893 981<br />
4. INTERNATIONAL CONFERENCES ORGANIZED BY THE<br />
INSTITUTE<br />
• Engineering Ceramics 07, Smolenice 06 – 10. 05. 2007, Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
The scope <strong>of</strong> the workshop was to commemorate the<br />
invention and recent development in the field <strong>of</strong> highperformance<br />
ceramics. During the last few years, the<br />
design <strong>of</strong> engineering ceramic materials, as many other<br />
high-tech materials proceeds the transition from microstructural<br />
to the nano-structural approach <strong>of</strong> their preparation. The main benefit <strong>of</strong> this<br />
approach is a new quality <strong>of</strong> materials as high temperature super-plasticity; excellent<br />
mechanical properties (high strength, fracture behaviour approaching the quasi-ductility,<br />
higher reliability, increased HT properties); functional properties (high electrical and<br />
thermal conductivity, optical transparency, graded function/properties <strong>of</strong> materials), etc.<br />
• The 8 th Conference on Solid State <strong>Chemistry</strong> – SSC 2008, Bratislava 06 – 11. 07.<br />
2008, RNDr. P. Komadel, DrSc.<br />
The scope <strong>of</strong> the conference was solid state chemistry in<br />
the broadest meaning, including results <strong>of</strong> various<br />
experimental and theoretical methods applied in<br />
investigation <strong>of</strong> solid state substances. The scientific program <strong>of</strong> SSC 2008 comprised<br />
sessions: Synthesis & characterization <strong>of</strong> materials; Crystal, electronic & magnetic<br />
structure; Electrochemistry & molten salts; <strong>Chemistry</strong> <strong>of</strong> glasses; Novel inorganic<br />
materials & nanomaterials; Layered compounds, clathrates & intercalates; Deposited<br />
films & surface chemistry. Over 200 participants from 29 countries representing Europe,
Asia, the Americas, and Africa attended the conference and presented 18 invited talks, 73<br />
lectures, and 146 posters.<br />
• 9th Conference <strong>of</strong> the European Society on Glass Science and Technology and the<br />
Annual Meeting <strong>of</strong> the International Commission on Glass, Trenčín 22 – 26. 06.<br />
2008, Pr<strong>of</strong>. Ing. M. Liška, DrSc., Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc., Doc. Ing. D. Galusek,<br />
PhD.<br />
The most important world glass event in 2008 covered a range<br />
<strong>of</strong> topics from the area <strong>of</strong> science and technology <strong>of</strong> glass and<br />
glass production. A satellite event the “Workshop on Entropy<br />
in Glass” dealt with theoretical aspects <strong>of</strong> glassy state.<br />
• Autumn school on neutron diffraction and spectroscopy, Tatranská Štrba 15 – 18. 09.<br />
2007, RNDr. Ľ. Smrčok, CSc.<br />
The School covered the current topics <strong>of</strong> neutron diffraction and spectroscopy with<br />
applications in chemistry, physics, material science and biology. The School put<br />
emphasis on the basic physical and technical principles.<br />
5. INTERNATIONAL FELLOWSHIPS<br />
Marie Curie Fellowship<br />
Ľ. Jankovič: University <strong>of</strong> Ioannina, Department <strong>of</strong> Physics, Greece, FP5: Research Training<br />
Networks (HPRN-CT-2002-00178), project title: „Composites <strong>of</strong> augmented strength:<br />
study <strong>of</strong> intercalates <strong>of</strong> uniquely structured clays”, 08/2003 – 07/2006<br />
H. Pálková: <strong>Institute</strong> <strong>of</strong> Catalysis and Surface <strong>Chemistry</strong>, Polish Academy <strong>of</strong> Sciences,<br />
Poland, project title: „Transfer <strong>of</strong> Knowledge in Design <strong>of</strong> Porous Catalysts“ within the<br />
framework <strong>of</strong> the Marie Curie Programme Transfer <strong>of</strong> Knowledge <strong>of</strong> the 6FP, 11/2005 –<br />
10/2006<br />
O. Pritula: Otto-Schott-Institut, Friedrich Schiller Universität, Jena, Germany, Marie Curie<br />
Host Fellowship, 08/2005 – 04/2006<br />
J. Sedláček: Otto-Schott-Institut, Friedrich Schiller Universität, Jena, Germany, Marie Curie<br />
Research Training Network, 09/2005 – 04/2006<br />
J. Sedláček: University <strong>of</strong> Karlsruhe, Karlsruhe, Germany, Marie Curie Fellowship, 09/2006<br />
– 09/2008<br />
M. Derzsi: <strong>Institute</strong> <strong>of</strong> Nuclear Physics PAS, Cracow, Poland, Marie Curie Research Training<br />
Network: Crust to Core (c2c) – the fate <strong>of</strong> subduction material, 01/2008 – 12/2008<br />
Others<br />
A. Czímerová: Advanced Materials Laboratory, National <strong>Institute</strong> for Materials Science,<br />
Tsukuba, Japan, FY2005 Japan Society for the Promotion <strong>of</strong> Science (JSPS), Postdoctoral<br />
Fellowship for <strong>Foreign</strong> Researchers, 09/2005 – 08/2006<br />
B. Kubíková: École Polytechnique, Chateau Gombert, Marseille, France, 10/2006 – 4/2007<br />
M. Milko: University <strong>of</strong> Leoben, Leoben, Austria, 03/2007 – 01/2010<br />
25
6. LECTURES DELIVERED BY THE GUESTS OF THE<br />
INSTITUTE<br />
Ján Šaroun: Application <strong>of</strong> neutron scattering in material reserch Nuclear Physics <strong>Institute</strong><br />
<strong>of</strong> the ASCR, Řež, Czech Republic, 25. 05. 2006<br />
Kamil Lang: From singlet oxygen to self-disinfecting materials. <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong><br />
<strong>Chemistry</strong>, ASCR, Řež, Cech Republic, 28. 11. 2006<br />
Seniz Reyhan Kushan: Thermal diffusivity behaviour <strong>of</strong> SiAlON ceramics, Anadolu<br />
University, Eskisehir, Turkey, 15. 08. 2006<br />
Ioannis Koutselas: Low dimensional hybrid semiconductors, University <strong>of</strong> Patras, Greece,<br />
20. 11. 2006<br />
Corneliu Balan: Rheology <strong>of</strong> sol-gel transition, “Politehnica” University <strong>of</strong> Bucharest,<br />
Romania, 22. 02. 2007<br />
Ivo Dlouhý: Fracture behaviour <strong>of</strong> composite materials with brittle matrix. <strong>Institute</strong> <strong>of</strong><br />
Physics <strong>of</strong> Materials <strong>of</strong> the ASCR, Brno, Czech Republic, 28. 02. 2007<br />
Kiyoshi Hirao: High thermal conductivity silicon nitride ceramics, High-performance<br />
component processing group, Advanced Manufacturing Processing Research <strong>Institute</strong>,<br />
National Inst. Adv. Industrial Sci. and Technology (AIST), Nagoya, Japan, 13. 03. 2007<br />
Shelley Wiederhorn: The effect <strong>of</strong> rare earth oxides on the creep <strong>of</strong> silicon nitride, National<br />
<strong>Institute</strong> <strong>of</strong> Standards and Technology Gaithersburg, MD, USA, 14. 06. 2007<br />
Nobuo Iyi: Preparation <strong>of</strong> Self-standingLayeredDouble Hydroxide (LDH) Films and Other<br />
Recent Topics on LDHs, National <strong>Institute</strong> for Materials Science, Tsukuba, Japan, 21. 10.<br />
2008<br />
Ryo Sasai: Preparation <strong>of</strong> LuminousDye/Layered Material Hybrid Solid Materials with High<br />
Emission Quantum Yield and Its Environmental Response Ability, Nagoya University,<br />
Japan, 21. 10. 2008<br />
Shinsuke Takagi: The Effects <strong>of</strong> Porphyrin Structure on the Complex Formation Behavior<br />
with Clay, Tokyo Metropolitan University, Japan, 21. 10. 2008<br />
Jun Kawamata: Clay/Organic Hybrid Composites as Nonlinear Optical Materials,<br />
Yamaguchi University, Japan, 21. 10. 2008<br />
7. INVITED LECTURES DELIVERED BY THE MEMBERS OF<br />
THE INSTITUTE<br />
At International Conferences<br />
D. Galusek: Microstructure-property relationship in sintered alumina ceramics, 11 th Int.<br />
Ceramic Congress CIMTEC 2006, Acireale, Italy, 04. – 09. 06. 2006<br />
D. Galusek: Ceramic armour: Threats and challenges or threats are challenges? Workshop:<br />
Materials for a Safe Europe, Munich, Germany, 10. – 11. 10. 2006<br />
26
P. Komadel, J. Madejová, J. W. Stucki: Manipulation <strong>of</strong> layer charge <strong>of</strong> smectites, Fourth<br />
Mediterranean Clay Meeting, Middle East Technical University, Ankara, Turkey, 05. –<br />
10. 09. 2006<br />
Z. Lenčéš, Ľ. Hric, R. Hauser, P. Šajgalík, R. Riedel: Densification <strong>of</strong> Polymer Derived<br />
SiC/Si(A)OC, Ceramics, Polymer Routes to Multifunctional Ceramics for Advanced<br />
Energy and Propulsion Applications, Boulder-Colorado, USA, 30. 07. – 05. 08. 2006<br />
J. Madejová: Near infrared spectroscopy: a powerful method to learn more on modified<br />
smectites, Mid European Clay Conference 2006, Opatija, Croatia, 18. – 22. 09. 2006<br />
V. Malkin: Toward a quantum chemical simulation <strong>of</strong> EPR and NMR spectra <strong>of</strong> lanthanide<br />
compounds, Final meeting <strong>of</strong> the COST D18 Action: Lanthanide <strong>Chemistry</strong> for<br />
Diagnostic and Therapy, Orleans, France, 30. 03. – 02. 04. 2006<br />
V. Malkin: Recent progress in quantum-chemical calculations <strong>of</strong> NMR and EPR parameters<br />
<strong>of</strong> lanthanide compounds, 2 nd FUNMIG RTDC-2 Progress Meeting, Karlsruhe, Germany,<br />
02. 08. 2006<br />
J. Noga, S. Kedžuch: Beyond the standard approximation in coupled cluster R12 theory,<br />
CCP2 workshop on explicitly correlated wavefunctions, Notthingham, UK, 2006<br />
P. Šajgalík, M. Hnatko, Z. Lenčéš: Mechanical behavior <strong>of</strong> newly developed SiC/Si3N4 nanocomposites,<br />
The 30 th International Conference and Exhibition on Advanced Ceramics and<br />
Composites, Cocoa Beach, Florida, USA, 22. – 27. 01. 2006<br />
P. Šajgalík: Novel processing <strong>of</strong> silicon nitride/carbide nano-composites with the potential<br />
for cutting tools application, The Symposium on Hybrid Nano Materials toward Future<br />
Industries – HNM 2006, Nagaoka, Japan, 03. – 05. 02. 2006<br />
P. Šajgalík, J. Křesťan, Z. Lenčéš: Sialons from aluminosilicates – processing, RT properties,<br />
corrosion and oxidation resistance, 5 th ISN IT, Eskişehir Turkey, 02. – 06. 04. 2006<br />
P. Šajgalík, Z. Lenčéš, M. Hnatko: Layered ceramic composites with self-detection ability,<br />
Reliability <strong>of</strong> Ceramics, Cracow, Poland, 17. – 20. 09. 2006<br />
P. Šajgalík, Z. Lenčéš, M. Hnatko: SiC/Si3N4 nano/micro composites for high temperature<br />
applications, Advanced Polymer Materials, Bratislava, Slovakia, 11. – 14. 06. 2006<br />
D. Galusek: Advanced sintering methods for preparation <strong>of</strong> nanostructured ceramics, VI<br />
Konferencja Polskiego Towarzystwa Ceramicznego, Zakopane, Poland, 13. – 16. 09. 2007<br />
K. Hirao, Y. Zhou, X. Zhu, Z. Lenčéš, P. Šajgalík: Processing parameters affecting thermal<br />
and mechanical properties on sintered reaction-bonded nitrides, 2 nd International<br />
Symposium on Sialons and Non-Oxide, Ise-Shima, Mie, Japan, 02. – 05. 12. 2007<br />
S. Kedžuch, J. Šimunek, J. Noga: Different considerations for second order R12/F12 theory,<br />
Highly Accurate Calculations <strong>of</strong> Molecular Electronic Structure, Bad Herrenalb,<br />
Germany, 22. – 24. 03. 2007<br />
P. Komadel, J. Hrachová: Clay minerals used in polymer-clay composites, Nanoved 4 th<br />
International Conference on Nanoscience and Nanotechnologies, Bratislava, Slovakia, 11.<br />
– 14. 11. 2007<br />
A. Kožuško, A. Sinani, L. Lytvynov, V. Šída, D. Galusek: Ceramic protection against AP<br />
threats, 5 th Light Weight Armour Group Meeting, Roedental, Germany, 05. 10. 2007<br />
Z. Lenčéš, M. Hnatko, P. Šajgalík, D. Galusek: Silicon nitride based composites with tailored<br />
mechanical and functional properties, 2 nd International Conference on Recent Advances<br />
in Composite Materials, New Delhi, India, 20. – 23. 02. 2007<br />
Z. Lenčéš, P. Šajgalík, T. Plachký, Y. Zhou, K. Hirao, R. Riedel: Effect <strong>of</strong> polymer derived<br />
ceramics and ternary nitride sintering aids on the thermal conductivity <strong>of</strong> silicon nitride,<br />
27
International Symposium on Advanced Ceramics and Technology for Sustinable Energy<br />
Applications, ACTSEA 2007, Kenting Henchun Town, Taiwan, 04. – 07. 11. 2007<br />
Z. Lenčéš, P. Šajgalík, T. Plachký, Y. Zhou, K. Hirao, R. Riedel: Ternary nitrides with<br />
thermo electrical and optical properties and related silicon nitride-based composites,<br />
MRS Fall Meeting, Symposium Q: Nitrides and Related Bulk Materials, Boston, USA,<br />
26. – 30. 11. 2007<br />
J. Noga: MP2-R12 versus dual basis MP2 theory, Molecular Quantum Mechanics - Analytic<br />
Gradients and Beyond, Budapest, Hungary, 29. 05. – 03. 06. 2007<br />
J. Noga: Second quantization framework for the treatment <strong>of</strong> the operators partitionings – a<br />
tool to understand R12 theories, Molecular Theory for Real Systems, Kyoto, Japan, 27. –<br />
29. 07. 2007<br />
O. Malkin: A fully relativistic generalized kinetically balanced method for calculation <strong>of</strong><br />
EPR and NMR parameters in the framework <strong>of</strong> the modified matrix Dirac-Kohn-Sham<br />
equation, Conference on Relativistic Effects in Heavy Elements – REHE 2007, Ottrot,<br />
France, 21. – 25. 03. 2007<br />
P. Šajgalík, Z. Lenčéš, M. Hnatko, D. Salamon, J. Sedláček, D. Galusek: Oxide and nonoxide<br />
composites for ceramic tools applications, 10 th International Conference and<br />
Exhibition <strong>of</strong> the European Ceramic Society, Berlin, Germany, 17. – 21. 06. 2007<br />
P. Šajgalík, J. Křesťan, Z. Lenčéš, T. Plachký: Sialons from aluminosilicates, processing, RT<br />
properties, corrosion and oxidation resistance, 2 nd International Symposium on Sialons<br />
and Non-Oxide, Ise-Shima, Mie, Japan, 02. – 05. 12. 2007<br />
P. Šajgalík, Z. Lenčéš: Polymer derived ceramics: hybrid processing, 59. zjazd chemikov,<br />
Tatranske Matliare, Slovakia, 02. – 06. 09. 2007<br />
A. Čeklovský, J. Bujdák, K. Lang: Thin films <strong>of</strong> layered silicates with photochemically-active<br />
porphyrin cations, 8 th Conference on Solid State <strong>Chemistry</strong>, Bratislava, Slovakia, 06. –<br />
11. 07. 2008<br />
M. Drábik: The innovations <strong>of</strong> cement-based materials through materials chemistry, 8 th<br />
Conference on Solid State <strong>Chemistry</strong>, Bratislava, Slovakia, 06. – 11. 07. 2008<br />
K. Hirao, Y. Zhou, Y. Yoshizawa, Z. Lenčéš, P. Šajgalík: Preparation <strong>of</strong> nitride phosphors<br />
by combustion synthesis, International Symposium on New Frontier <strong>of</strong> Advanced Si-<br />
Based Ceramics and Composites (ISASC-2008), Jeju, Korea, 08. 06. – 11. 06. 2008<br />
S. Komorovský: Dirac-Kohn-Sham calculations <strong>of</strong> shielding tensor with restricted<br />
magnetically balanced basis, Workshop on Modern Methods in Quantum <strong>Chemistry</strong>,<br />
Mariapfarr, Austria, 14 – 17. 02. 2008<br />
Z. Lenčéš, Ľ. Benco, D. Velič, Y. Zhou, K. Hirao, P. Šajgalík: Thermal and optical<br />
properties <strong>of</strong> ternary silicon-nitrides, 4 th International Workshop on Spinel Nitrides and<br />
Related Materials, Ruedesheim/Rhine, Germany, 31. 08. – 05. 09. 2008<br />
Z. Lenčéš, Y. Zhou, Ľ. Benco, D. Velič, K. Hirao, P. Šajgalík: Electronic structure and<br />
optical properties <strong>of</strong> silicon-based ternary nitrides, 2 nd International Congress on<br />
Ceramics, Verona, Italy, 29. 06. – 04. 07. 2008<br />
J. Madejová: Infrared spectroscopy: Theory and clay minerals applications I, International<br />
workshop ADVANCECLAY – ERASMUS IP, Eötvös L. University, Budapest, Hungary,<br />
23. 07. 2008<br />
J. Madejová: Infrared spectroscopy: Theory and clay minerals applications II, International<br />
workshop ADVANCECLAY – ERASMUS IP, Eötvös L. University, Budapest, Hungary,<br />
23. 07. 2008<br />
J. Madejová: Possibilities <strong>of</strong> near IR spectroscopy in investigation <strong>of</strong> reduced charge<br />
28
smectites, AluSiV, Aberdeen, Scotland, UK, 03– 05. 09. 2008 2008<br />
V. Malkin: A fully relativistic calculations NMR parameters in the framework <strong>of</strong> the matrix<br />
Dirac-Kohn-Sham equation using a restricted magnetically balanced basis, Current<br />
Trends in Theoretical <strong>Chemistry</strong> V. Krakow, Poland, 2008<br />
P. Neogrady, J. Noga, M. Pitonak, M. Urban: Towards a more accurate and more efficient<br />
coupled cluster implementation in the Bratislava Group, 48 th Sanibel Symposium,<br />
Georgia, USA, 21. – 26. 02. 2008<br />
J. Noga: R12/F12 based theories within and beyond the standard approximation. An analysis<br />
and some numbers, Symposium on Atomic, Molecular and Optical Sciences and High<br />
Performance Computing, Kolkata, India, 10. – 12. 01. 2008<br />
J. Noga: Alternative explicitly correlated approaches based on the R12 theory, Symposium:<br />
Electron correlation and molecular dynamics for excited states and photochemistry,<br />
Vienna, Austria, 03. – 04. 06. 2008<br />
J. Noga, S. Kedzuch, J. Simunek, S. Ten-no: Coupled cluster F12 theory with Slater<br />
geminals, 7 th Central European Symposium on Theoretical <strong>Chemistry</strong>, Hejnice, Czech<br />
Republic, 28. 09. – 01. 10. 2008<br />
T. Plachký, Z. Lenčéš, R. Hauser, R. Riedel, P. Šajgalík: Densification <strong>of</strong> Si3N4/SiAlOC<br />
ceramic composites, 8 th Conference on Solid State <strong>Chemistry</strong>, Bratislava, Slovakia, 06. –<br />
11. 07. 2008<br />
P. Šajgalík: Road map <strong>of</strong> ceramics for energy, 2 nd International Congress on Ceramics,<br />
Verona, Italy, 29. 06. – 04. 07. 2008<br />
P. Šajgalík: Ceramic technologies for the alternative energy, KERMAT, International<br />
Symposium: The New Frontiers <strong>of</strong> Ceramic Materials, Rimini, Italy, 01. – 02. 10. 2008<br />
P. Šajgalík, M. Hnatko, Š. Lojanová, Z. Lenčéš: SiC/Si3N4 nano/micro composites –<br />
materials with excellent properties, Polish Ceramics: V. International Scientific and<br />
Technological Conference, Cracow, Poland, 14. – 17. 09. 2008<br />
P. Šajgalík, M. Hnatko, Š. Lojanová, Z. Lenčéš: SiC/Si3N4 nano/micro composites –<br />
processing and mechanical properties, International Symposium on New Frontier <strong>of</strong><br />
Advanced Si-Based Ceramics and Composites (ISASC-2008), Jeju Island, Korea, 08. 06.<br />
– 11. 06. 2008<br />
P. Šajgalík, Z. Lenčéš, Ľ. Hric, T. Plachký, R. Riedel: Novel non-oxide ceramics for<br />
application in extreme conditions, The 9 th International Symposium on Ceramic Materials<br />
and Components for Energy and Environmental Applications, Shanghai, China, 10. – 14.<br />
11. 2008<br />
P. Šajgalík, Z. Lenčéš, Y. Zhou, Ľ. Benco, K. Hirao, D. Velič: Synthesis and physical<br />
properties <strong>of</strong> magnesium and lanthanum silicon nitride, 1 st Symposium on Advanced<br />
Synthesis and Processing for Materials (ASPM08), Wuhan University <strong>of</strong> Technology,<br />
Wuhan, China, 14. – 17. 11. 2008<br />
P. Šajgalík, T. Plachký, Ľ. Hric, Z. Lenčéš, R. Riedel: Processing and properties <strong>of</strong> siliconbased<br />
composites using polymer derived ceramics as sintering aids, 4 th International<br />
Workshop on Spinel Nitrides and Related Materials, Ruedesheim/Rhine, Germany, 31.<br />
08. – 05. 09. 2008<br />
29
In <strong>Institutions</strong> Abroad<br />
J. Bujdák: Clay minerals in chemical evolution, Department <strong>of</strong> Theoretical <strong>Chemistry</strong>,<br />
<strong>Institute</strong> for General, <strong>Inorganic</strong> and Theoretical <strong>Chemistry</strong>, University <strong>of</strong> Innsbruck,<br />
Austria, 11. 12. 2006<br />
P. Komadel: <strong>Chemistry</strong> and properties <strong>of</strong> clay minerals – smectites, 24. 03. 2006;<br />
Spectroscopic evidence <strong>of</strong> chemical composition and changes in clay minerals, 05. 04.<br />
2006, Department <strong>of</strong> Geochemistry, Geological Survey <strong>of</strong> Denmark and Greenland,<br />
Copenhagen, Denmark<br />
P. Šajgalík, J. Křesťan, Z. Lenčéš: Sialons from aluminosilicates – processing, RT properties,<br />
corrosion and oxidation resistance, AIST Nagoya, Japan, 16. 10. 2006<br />
P. Šajgalík, Z. Lenčéš, M. Hnatko: Layered ceramic composites with self-detection ability,<br />
reliability <strong>of</strong> ceramics, IKM, University <strong>of</strong> Karlsruhe, Germany, 04. 12. 2006<br />
J. Bujdák: Clay minerals in chemical evolution, <strong>Institute</strong> <strong>of</strong> General, <strong>Inorganic</strong> and<br />
Theoretical <strong>Chemistry</strong>, Department <strong>of</strong> Theoretical <strong>Chemistry</strong>, University <strong>of</strong> Innsbruck,<br />
Austria, 12. 11. 2007<br />
D. Galusek: Pre-ceramic precursors for bulk non-oxide ceramics and ceramic-ceramic<br />
composites, University <strong>of</strong> Bayreuth, Bayreuth, Germany, 20. 07. 2007<br />
M. Pentrák: Acid treatment <strong>of</strong> clay minerals, University <strong>of</strong> Poitiers, France, 30. 11. 2007<br />
J. Bujdák: Hybrid materials based on organic dyes embedded in layered inorganic<br />
compounds. Phenomena and potential applications, Workshop on layered materials,<br />
National <strong>Institute</strong> for Materials Science, Tsukuba, Japan, 11. 03. 2008<br />
P. Komadel: <strong>Chemistry</strong> and properties <strong>of</strong> clay minerals – smectites, 9. 12. 2008;<br />
Spectroscopic evidence <strong>of</strong> chemical composition and changes in clay minerals, 10. 12.<br />
2008; Manipulation <strong>of</strong> layer charge <strong>of</strong> smectites, 11. 12. 2008, Faculty <strong>of</strong> Mining,<br />
Geology and Petroleum Engineering, University <strong>of</strong> Zagreb, Croatia<br />
J. Madejová: Near infrared spectroscopy in studies <strong>of</strong> modified smectites, <strong>Institute</strong> <strong>of</strong><br />
Catalysis and Surface <strong>Chemistry</strong> Polish Academy <strong>of</strong> Sciences, Cracow, Poland, 10. 06.<br />
2008<br />
V. Malkin: Introduction in the theory <strong>of</strong> calculations <strong>of</strong> NMR and EPR parameters;<br />
Relativistic calculations <strong>of</strong> NMR and EPR parameters; Theoretical prediction and<br />
interpretation <strong>of</strong> NMR and EPR parameters, <strong>Institute</strong> <strong>of</strong> Catalysis and Surface <strong>Chemistry</strong><br />
Polish Academy <strong>of</strong> Sciences and Jagiellonian university, Cracow, Poland, 31. 03. – 20.<br />
04. 2008.<br />
J. Noga: Towards high precision calculations <strong>of</strong> molecular energies and properties via<br />
explicitly correlated coupled cluster theory,<br />
a) Indian Association for the Cultivation <strong>of</strong> Science, Kolkata, India, 13. 01. 2008<br />
b) National Chemical Laboratory, Pune, India, 17. 01. 2008<br />
J. Noga: Basic Aspects <strong>of</strong> the Explicitly Correlated Coupled Cluster Theory, Center for<br />
Computational Quantum <strong>Chemistry</strong>, University <strong>of</strong> Georgia, Athens, GA, USA, 27. 02. –<br />
29. 02. 2008<br />
H. Pálková: Experimental measurement <strong>of</strong> Li/Mg partitioning between clay and solution<br />
during hectorite synthesis, UMR-CNRS, University de Poitiers, France, 03. 12. 2008<br />
V. Petrušková: Corrosion <strong>of</strong> Si3N4 and Al2O3 ceramics in different melting media,<br />
Technische Universität Darmstadt, Fachbereich material- und Geowissenschaften,<br />
Germany, 10. 11. 2008<br />
30
8. AWARDS AND HONOURS<br />
P. Komadel<br />
J. Noga<br />
Premium <strong>of</strong> the Slovak Literary Fund for citations in last three years,<br />
2006<br />
Premium <strong>of</strong> the Slovak Literary Fund for citations in last three years,<br />
2006<br />
J. Noga Elected member <strong>of</strong> the Learned Society <strong>of</strong> the SAS<br />
P. Šajgalík Elected member <strong>of</strong> the Learned Society <strong>of</strong> the SAS<br />
P. Šajgalík Scientist <strong>of</strong> the Year 2006<br />
P. Komadel Elected member <strong>of</strong> the Learned Society <strong>of</strong> the SAS<br />
M. Boča<br />
M. Korenko<br />
B. Kubíková<br />
M. Kucharík<br />
Award <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences for the year 2008 for<br />
achievements in research on physico-chemical properties <strong>of</strong> molten<br />
salts<br />
F. Šimko<br />
P. Šajgalík<br />
Z. Lenčéš<br />
M. Hnatko<br />
D. Galusek<br />
J. Sedláček<br />
D. Galusek<br />
J. Chovanec<br />
M. Chromčíková<br />
R. Karell<br />
M. Liška<br />
J. Sedláček<br />
P. Švančárek<br />
Award <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences for the year 2008 for the<br />
achievements in the reserach and development <strong>of</strong> advanced ceramic<br />
materials<br />
The prize <strong>of</strong> Vice-premier and Minister <strong>of</strong> Education <strong>of</strong> the Slovak<br />
Republic for science and technology for the year 2008, category<br />
Scientific Team <strong>of</strong> the Year<br />
P. Hrobárik Distinguished Student Award for 2008<br />
P. Hrobárik Outstanding Young Scientist Award for 2008<br />
S. Kedžuch<br />
Distinguished Student Award for 2006/07<br />
31
From left: M. Korenko, F. Šimko, B. Kubíková, M. Kucharík and M. Boča receiving the<br />
Award <strong>of</strong> the Slovak Academy <strong>of</strong> Sciences for the year 2008 for achievements in research on<br />
physico-chemical properties <strong>of</strong> molten salts<br />
From left: D. Galusek, M. Hnatko, Z. Lenčéš and P. Šajgalík receiving the Award <strong>of</strong> the<br />
Slovak Academy <strong>of</strong> Sciences for the year 2008 for achievements in the reserach and<br />
development <strong>of</strong> advanced ceramic materials<br />
32
M. Liška and D. Galusek receiving The prize <strong>of</strong> Vice-premier and Minister <strong>of</strong> Education <strong>of</strong><br />
the Slovak Republic for science and technology for the year 2008, category scientific team <strong>of</strong><br />
the year<br />
P. Hrobárik receiving the Award for the Outstanding Young Scientist <strong>of</strong> the Year 2008<br />
33
9. DEFENDED PhD. THESIS<br />
2006<br />
Ján Křesťan SiAlONs made from clay raw materials<br />
Supervisor<br />
Scientific Field<br />
Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
<strong>Inorganic</strong> Technology and Materials<br />
Blanka Kubíková Phase equilibrium and surface tension <strong>of</strong> electrolytes for<br />
deposition <strong>of</strong> niobium<br />
Supervisor<br />
Pr<strong>of</strong>. Ing. Pavel Fellner, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Marián Kucharík Phase analysis <strong>of</strong> Na3AlF6-Al2O3 system. Surface tention <strong>of</strong><br />
molten NaF-AlF3-Al2O3 and KF-K2MoO4-SiO2 systems<br />
Supervisor<br />
Doc. Ing. Vladimír Daněk, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
2007<br />
Viera Petrušková Damage <strong>of</strong> glass by hot water cleaning process<br />
Supervisor<br />
Scientific Field<br />
Pr<strong>of</strong>. RNDr. Pavol Šajgalík, DrSc.<br />
<strong>Inorganic</strong> Technology and Materials<br />
Mária<br />
Chromčíková<br />
The structural relaxation <strong>of</strong> oxide glasses<br />
Supervisor<br />
Pr<strong>of</strong>. Ing. Marek Liška, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Matúš Milko Electronic structure calculations <strong>of</strong> system with translational<br />
periodicity using the charge distributions fitting method<br />
Supervisor<br />
Pr<strong>of</strong>. RNDr. Jozef Noga, DrSc.<br />
Scientific Field Chemical Physics<br />
Mariana<br />
Structure and dynamics <strong>of</strong> selected hydrogen bonded<br />
Sládkovičová<br />
molecules – inelastic neutron scattering, neutron diffraction<br />
and DFT study<br />
Supervisor<br />
RNDr. Ľubomír Smrčok, CSc.<br />
Scientific Field Chemical Physics<br />
Stanislav Kedžuch Explicitly correlated wave functions: Alternative R12<br />
approach and the problem <strong>of</strong> one particle basis sets<br />
Supervisor<br />
Pr<strong>of</strong>. RNDr. Jozef Noga, DrSc.<br />
Scientific Field Chemical Physics<br />
2008<br />
Slávka<br />
Properties <strong>of</strong> bentonite from the Lieskovec deposit and its<br />
Andrejkovičová potential environmental applications<br />
Supervisor<br />
RNDr. Peter Komadel, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Jana Hrachová Organic modifications <strong>of</strong> montmorillonites and their<br />
applications in polymer (nano)composites<br />
Supervisor<br />
RNDr. Peter Komadel, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
34
Zuzana Netriová Phase and volume properties <strong>of</strong> fluoride system based on<br />
tantalum<br />
Supervisor<br />
Ing. Miroslav Boča, PhD.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Martin Pentrák Modification <strong>of</strong> clay minerals structure and properties by<br />
acid and alkali treatments<br />
Supervisor<br />
RNDr. Jana Madejová, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Ľubomír Hric Preparation <strong>of</strong> SiC-based ceramic materials with uncommon<br />
sintering additives<br />
Supervisor<br />
Pr<strong>of</strong>. RNDr. Pavol Šajgalík, DrSc.<br />
Scientific Field <strong>Inorganic</strong> Technology and Materials<br />
Peter Hrobárik Quantum-chemical studies on electronic structure and<br />
EPR/NMR parameters <strong>of</strong> transition and inner-transition<br />
metal complexes<br />
Supervisor<br />
Dr. Oľga Malkin, DrSc.<br />
Scientific Field Physical <strong>Chemistry</strong><br />
10. MEMBERS OF THE EDITORIAL BOARDS<br />
Scientific Journals Published Abroad<br />
P. Komadel<br />
P. Šajgalík<br />
M. Liška<br />
Applied Clay Science<br />
Clays and Clay Minerals<br />
Clay Minerals<br />
Ceramics-Silikáty<br />
Key Engineering Materials<br />
Bulletin <strong>of</strong> the European Ceramic Society<br />
Ceramics-Silikáty<br />
Sklár a Keramik<br />
Scientific Journals Published In Slovakia<br />
M. Boča Chemical Papers<br />
P. Komadel Geologica Carpathica<br />
35
11. COOPERATION WITH INDUSTRY<br />
Glassworks RONA, j.s.c. Lednické Rovne<br />
• Joint research grants on development <strong>of</strong> new compositions <strong>of</strong> crystalline glasses produced<br />
by the company<br />
• Actual problems <strong>of</strong> applied research and experimental development meeting the<br />
immediate needs <strong>of</strong> the company<br />
• Activities <strong>of</strong> specialist from RONA j.s.c. as lecturers for undergraduate and PhD students<br />
at VILA Center<br />
Saint Gobain Advanced Ceramics, Turnov, Česká republika<br />
Development <strong>of</strong> transparent ceramic armours with increased ballistic efficiency (joint<br />
grant NATO SfP 98 17 70: Light weight transparent armours)<br />
GoldenSUN Slovakia, s.r.o., Liptovský Mikuláš<br />
Joint research grants founded by Slovak Research and Development Agency:<br />
• Advanced ceramic materials for the photo-thermo-mechanical conversion system <strong>of</strong> solar<br />
thermal engine based on the steam cycle (project APVV-0448-06), 02/2007-12/2009<br />
• Micro-combined heat and power unit based on solid biomass burning (project APVV-<br />
0517-07), 09/2008-12/2010<br />
VUEZ, j.s.c., Levice<br />
Joint research projects on determination <strong>of</strong> resistance <strong>of</strong> glass fibers used as thermal<br />
insulations in nuclear power plants against leaching in aqueous media (Grant No.<br />
DSR/SESPRI/04s029a Chemical effects and Chemical effects II, funded by IRSN,<br />
France, Similar project funded by Allion Science USA<br />
Johns Manville Slovakia, j.s.c., Trnava<br />
Joint research project founded by Slovak Research and Development Agency:<br />
Optimalization <strong>of</strong> EUTAL melting (project APVT-20-P06405), partners: VILA (Joint<br />
Glass Center <strong>of</strong> the <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong> SAS, Alexander Dubček University<br />
<strong>of</strong> Trenčín, and RONA Lednické Rovne), <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong> SAS, Johns<br />
Manville Slovakia, inc. Trnava; 05/2006 - 12/1007<br />
Envigeo, j.s.c., Banská Bystrica<br />
Joint research project founded by Slovak Research and Development Agency: “Organic<br />
modifications <strong>of</strong> natural nanomaterials” (project APVV-51-050505), 03/2006 – 10/2009<br />
RHI AG, Technology Center, Standort Leoben, Austria; Montan Universität, Leoben,<br />
Austria<br />
Joint research project founded by RHI AG on the Synthesis and characterization <strong>of</strong><br />
oxinitrides in ordinary ceramic refractories. 2008 - 2010<br />
36
12. RESEARCH FUNDING<br />
thousand SKK<br />
30,000<br />
25,000<br />
20,000<br />
15,000<br />
10,000<br />
5,000<br />
0<br />
Wages<br />
Cost composition 2006-2008<br />
Overhead<br />
Capital investments<br />
37<br />
National Projects<br />
Cost category<br />
International Projects<br />
Cost composition<br />
(in thousand SKK) 2006 2007 2008<br />
Wages (+ taxes and funds<br />
contributions) 1 24 021 26 523 27 622<br />
Overhead 1 467 1 497 1 867<br />
Capital Investments 2 7 295 4 291 3 126<br />
National Projects 3 12 186 19 995 16 203<br />
International Projects 3 2 233 832 1 317<br />
Total Budget 47 202 53 138 50 135<br />
1 Permanent staff and PhD students<br />
2 Including the capital investments obtained from the national and international projects<br />
3 Without capital investments<br />
2006<br />
2007<br />
2008
13. EVENTS<br />
The Open Door Day<br />
Within the Slovak Science and Technology Week, “The Open Door Day” was organized<br />
in the <strong>Institute</strong> twice, in 2006 and 2008, mainly for the students <strong>of</strong> the secondary schools<br />
together with their pedagogues and university students. Representatives <strong>of</strong> industrial partners<br />
and media were also invited.<br />
Five to seven membered groups were shuttled throughout the departments with special<br />
explanation <strong>of</strong> the experimental instrumentation. In the common areas poster exhibition<br />
together with presentation <strong>of</strong> <strong>Institute</strong>’s publications were available. Particular attention was<br />
paid to the exposition <strong>of</strong> research products (artificial ceramic joints, cutting tools, advanced<br />
materials, ...). From all the experiments, the most attractive were those performed on scanning<br />
electron microscope. Available were computer demonstrations <strong>of</strong> the scientific interests <strong>of</strong><br />
each department, as well as short movies from industrial processes. Several visitors stopped at<br />
the <strong>Institute</strong>’s library. For secondary school students, blocks <strong>of</strong> laboratory experiments were<br />
performed to show the beauty <strong>of</strong> chemistry, emphasizing the need <strong>of</strong> precaution. About one<br />
hundred visitors came in 2008.<br />
Anna Jurová presenting details <strong>of</strong> the scanning electron microscopy work. More information<br />
about the experiments explained Jaroslav Sedláček (in the back).<br />
38
PhD. student Tomáš Plachký presenting Bengal flames, one <strong>of</strong> the most attractive<br />
experiments.<br />
“The fruit <strong>of</strong> our research” — the materials developed by the scientists from our <strong>Institute</strong>.<br />
39
Researcher’s Night in the European Union<br />
The tradition <strong>of</strong> the European Researchers´ night began in 2005. This action aims at<br />
supporting the efforts undertaken since 2005 in order to bring researchers closer to the larger<br />
public, with a view to enhancing their important role in society. Traditional events during<br />
Researchers´ night are activities focused on presentation <strong>of</strong> scientifics and researchers, results<br />
<strong>of</strong> investigations and developments, various qiuzes and competitions, discussions, scientific<br />
c<strong>of</strong>fee bars and other promotions. Slovak Republic participated twice in this all-European<br />
event. The coves <strong>of</strong> investigation and development <strong>of</strong> construction ceramics materials were<br />
presented by young scientists from the Department <strong>of</strong> Ceramics <strong>of</strong> our <strong>Institute</strong> during the<br />
night from 26 th to 27 th September 2008 in the shopping centre Aupark in Bratislava.<br />
Specifically, material resistant against cavitations, corrosive working environment, high<br />
temperatures and pressures and thermal shocks for photo-thermal and mechanical conversion<br />
system in thermo-solar engine, which is working on the principle <strong>of</strong> steam engine cycle, was<br />
introduced.<br />
Stirling model <strong>of</strong> solar engine as an example <strong>of</strong> utilization <strong>of</strong> renewable source <strong>of</strong> energy - the<br />
Researchers´Night 2008.<br />
40
Pr<strong>of</strong>. Pavol Šajgalík, the director <strong>of</strong> our <strong>Institute</strong>, in front <strong>of</strong> a microphone during the<br />
Researchers´Night 2008<br />
41
IIC SAS DEPARTMENTS<br />
43
DEPARTMENT OF CERAMICS<br />
Members <strong>of</strong> the Department<br />
phone e-mail<br />
Head<br />
Pr<strong>of</strong>. RNDr. Pavol Šajgalík, DrSc. +421 2 59410 400 pavol.sajgalik@savba.sk<br />
Scientific staff<br />
Ing. Svetozár Balkovic, PhD. +421 2 59410 419 svetozar.balkovic@savba.sk<br />
Ing. Ľubomír Benco, PhD. lubomir benco@univie.ac.at<br />
RNDr. Milan Drábik, PhD. +421 2 59410 474 milan.drabik@savba.sk<br />
Prom.farm. Ľubica Gáliková +421 2 59410 439 lubica.galikova@savba.sk<br />
Ing. Katarína Ghillányová, PhD. +421 2 59410 440 katarina.ghillanyova@savba.sk<br />
Ing. Miroslav Hnatko, PhD. +421 2 59410 415 miroslav.hnatko@savba.sk<br />
Mgr. Ľubomír Hric, PhD. +421 2 59410 440 lubomir.hric@savba.sk<br />
Ing. Štefan Kavecký, PhD. +421 2 49268 281 stefan.kavecky@savba.sk<br />
Ing. Zoltán Lenčéš, PhD. +421 2 59410 408 zoltan.lences@savba.sk<br />
Ing. Jaroslav Sedláček, PhD. +421 2 59410 442 jaroslav.sedlacek@savba.sk<br />
Technical staff<br />
Miriam Hnatková +421 2 59410 415 miriam.hnatkova@savba.sk<br />
Anna Jurová +421 2 59410 403 anna.jurova@savba.sk<br />
Magdaléna Kňazovičová +421 2 59410 429 magdalena.knazovicova@savba.sk<br />
PhD. Students<br />
Ing. Františka Frajkorová +421 2 59410 428 frantiska.frajkorova@savba.sk<br />
Ing. Linda Kipsová +421 2 59410 443 linda.kipsova@savba.sk<br />
Ing. Štefánia Lojanová +421 2 59410 442 stefania.lojanova@savba.sk<br />
Ing. Tomáš Plachký +421 2 59410 440 tomas.plachky@savba.sk<br />
45
Field <strong>of</strong> Scientific Interest<br />
The Department <strong>of</strong> Ceramics <strong>of</strong> IIC is active in the research <strong>of</strong> oxide and non-oxide ceramic<br />
materials since 1984. Main expertise is in the processing <strong>of</strong> bulk micro-and nano-ceramics,<br />
microstructure control, and their characterization. In the last years the research is focused on<br />
the development <strong>of</strong> ceramic materials for wear and high-temperature applications, transparent<br />
ceramics, polymer derived ceramics, preparation <strong>of</strong> non-oxide ceramics with high thermal<br />
and/or electrical conductivity, design <strong>of</strong> nitride/oxynitride phosphors. Microstructural design<br />
<strong>of</strong> a new type <strong>of</strong> multifunctional composites with self-diagnostic ability, and in situ<br />
modification <strong>of</strong> grain boundaries has also been studied with respect to the high temperature<br />
mechanical properties. Further, the chemical aspects <strong>of</strong> cross-linked functional interfaces<br />
between the polymer filler and cemented matrix in MDF materials and their impact on the<br />
bulk properties were investigated.<br />
International and National Projects<br />
Foresight action for multifunctional materials technology<br />
FP 6 Project EU, No. SSA 517045 (SMART)<br />
Duration: 2005 – 2006<br />
International Coordinator: Dr. Gerd Schumacher; Forschung Centrum Jülich, Germany<br />
Principal Investigator in Slovakia: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
Tailored Multifunctional Polymer-derived nanoCeramics<br />
FP 6 Project EU, MRTN-CT-2005-019601 (PolyCerNet)<br />
Duration: 2006 – 2009<br />
International Coordinator: Pr<strong>of</strong>. Gian Domenico Soraru, Department <strong>of</strong> Materials<br />
Engineering, University <strong>of</strong> Trento, Italy<br />
Principal Investigator in Slovakia: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
Atomic level aspects <strong>of</strong> advanced cementitious materials<br />
Bilateral Project with the University <strong>of</strong> Surrey, UK<br />
Duration: 2003 – 2006<br />
Principal Investigator in Slovakia: RNDr. M. Drábik, CSc.<br />
Ceramic nanocomposites<br />
VEGA Project No. 2/4072/24<br />
Duration: 2004 – 2006<br />
Principal Investigator: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
<strong>Chemistry</strong> and selected technological consequences <strong>of</strong> the effects <strong>of</strong><br />
moisture and sulfates in cement-based materials<br />
VEGA Project No. 2/5011/25<br />
Duration: 2005 – 2007<br />
Principal Investigator: RNDr. M. Drábik, CSc.<br />
46
Ceramic composites with uncommon sintering and microstructure forming<br />
additives<br />
VEGA Project No. 2/7171/27<br />
Duration: 2007 – 2009<br />
Principal Investigator: Ing. Z. Lenčéš, PhD.<br />
Relations <strong>of</strong> chemical changes and physico-mechanical properties <strong>of</strong><br />
selected materials based on cement<br />
VEGA Project No. 2/0055/08<br />
Duration: 2008 – 2010<br />
Principal Investigator: RNDr. M. Drábik, CSc.<br />
Polymer derived nano-ceramic with controlled crystallinity<br />
APVV Project No. RPEU-0013-06<br />
Duration: 2007 – 2009<br />
Principal Investigator: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
Research <strong>of</strong> ceramics materials for high corrosive environments<br />
APVV Project No. APVV-0171-06<br />
Duration: 2007 – 2009<br />
Principal Investigator: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
Advanced ceramic materials for the photo-thermo-mechanical conversion<br />
system <strong>of</strong> solar thermal engine based on the steam cycle.<br />
APVV Project No. APVV-0448-06<br />
Duration: 2007 – 2009<br />
Principal Investigator: Ing. Z. Lenčéš, PhD.<br />
Micro-CHP unit based on solid biomass burning<br />
APVV Project No. APVV-0517-07<br />
Duration: 2008 – 2010<br />
Principal Investigator: Faculty <strong>of</strong> Engineering, University <strong>of</strong> Žilina<br />
Principal Investigator at IIC SAS: Ing. Z. Lenčéš, PhD.<br />
Processing and properties <strong>of</strong> Si-based ternary nitrides as sintering additives<br />
and phosphors<br />
Joint Research Project supported by the Japan Society for the Promotion <strong>of</strong> Science in<br />
collaboration with the Slovak Academy <strong>of</strong> Sciences<br />
Duration: 2006 – 2008<br />
Principal Investigator: Dr. K. Hirao, AIST Nagoya, Japan<br />
Principal Investigator in Slovakia: Ing. Z. Lenčéš, PhD.<br />
Centre <strong>of</strong> the nanostructured materials<br />
Project <strong>of</strong> CE SAS<br />
Duration: 2007 – 2010<br />
Principal Investigator: IMR SAS<br />
Principal Investigator on IICH SAS: Pr<strong>of</strong>. RNDr. P. Šajgalík, DrSc.<br />
47
Selected Publications<br />
BALOG M., ŠAJGALÍK P., HOFER F., WARBICHLER P., FRÖHLICH K., VÁVRA O.,<br />
JANEGA J., HUANG J.-L: Electrically Conductive SiC-(Nb,Ti)ss-(Nb,Ti)Css Cermet, Journal<br />
<strong>of</strong> the European Ceramic Society 26, 1259 – 1266, 2006<br />
ŠAJGALÍK P., HNATKO M., LOJANOVÁ Š., LENČÉŠ Z., PÁLKOVÁ H., DUSZA J.:<br />
Microstructure, Hardness and Fracture Toughness Evolution <strong>of</strong> Hot-Pressed SiC/Si3N4<br />
Nano/Micro Composite after High-temperature Treatment, International Journal <strong>of</strong> Materials<br />
Research 97, 772 – 777, 2006<br />
ŠAJGALÍK P., LENČÉŠ Z., DUSZA J.: Layered Composites with Self-Diagnostic Ability,<br />
Composites Part B: Engineering 37, 515 – 523, 2006<br />
LENČÉŠ Z., HIRAO K., ŠAJGALÍK P., HOFFMANN M.J.: Thermodynamic and<br />
Dielectric Properties <strong>of</strong> MgSiN2 Ceramics, Key Engineering Materials 317-318, 857 – 860,<br />
2006<br />
KAŠIAROVÁ M., DUSZA J., HNATKO M., ŠAJGALÍK P., REECE M.J.: Fractographic<br />
Montage for a Si3N4-SiC Nanocomposite, Journal <strong>of</strong> the American Ceramic Society 89, 1752<br />
– 1755, 2006<br />
ŠAJGALÍK P., HNATKO M., ČOPAN P., LENČÉŠ Z., HUANG J.-L.: Influence <strong>of</strong><br />
Graphite Additives on Wear Properties <strong>of</strong> Hot-Pressed Si3N4 Ceramics, Journal <strong>of</strong> the<br />
Ceramic Society <strong>of</strong> Japan 114, 1061 – 1068, 2006<br />
BODIŠOVÁ K., ŠAJGALÍK P., GALUSEK D., ŠVANČÁREK P.: Two-Stage Sintering <strong>of</strong><br />
Alumina with Submicrometer Grain Size, Journal <strong>of</strong> the American Ceramic Society 90, 330 –<br />
332, 2007<br />
LICHVÁR P., ŠAJGALÍK P., LIŠKA M., GALUSEK D.: CaO-SiO2-Al2O3-Y2O3 Glasses as<br />
Model Grain Boundary Phases for Si3N4, Journal <strong>of</strong> the European Ceramic Society 27, 429 –<br />
436, 2007<br />
KŘESŤAN J., PRITULA O., SMRČOK Ľ., ŠAJGALÍK P., LENČÉŠ Z., WANNBERG A.,<br />
MONTEVERDE F.: Corrosion <strong>of</strong> β-SiAlON-Based Ceramics by Molten Steel, Journal <strong>of</strong> the<br />
European Ceramic Society 27, 2137 – 2143, 2007<br />
ŠAJGALÍK P., KŘESŤAN J., LENČÉŠ Z.: Corrosion Resistance <strong>of</strong> β-SiAlON-Based<br />
Ceramics against Molten Steel, Materials Science Forum 554, 147 – 150, 2007<br />
PETRUŠKOVÁ V., VRÁBEL P., ŠIMURKA P., ŠAJGALÍK P., MARYŠKA M.: Surface<br />
Damage <strong>of</strong> Two Different Wineglasses during Dishwashing Process, Ceramics – Silikáty 51,<br />
57 – 66, 2007<br />
BENCO Ľ., HAFNER J., LENČÉŠ Z., ŠAJGALÍK P.: Density Functional Study <strong>of</strong><br />
Structures and Mechanical Properties <strong>of</strong> Y-Doped α-SiAlONs, J. Eur. Ceram. Soc. 28, 995 –<br />
1003, 2008<br />
48
LENČÉŠ Z., BENCO Ľ., MADEJOVÁ J., ZHOU Y., KIPSOVÁ L., HIRAO K.: Reaction<br />
Synthesis and Characterisation <strong>of</strong> Lanthanum Silicon Nitride, Journal <strong>of</strong> the European<br />
Ceramic Society 28, 1917 – 1922, 2008<br />
ŠAJGALÍK P., DUSZA J., LENČÉŠ Z., HNATKO M., GALUSEK D., GHILLÁNYOVÁ<br />
K.: Bulk Ceramic Nanostructures, In: Chen I-W.: Ceramics Science and Technology 1,<br />
WILEY-VCH, Weinheim, 347 – 373, 2008, ISBN 978-527-31155-2.<br />
DRÁBIK M., GÁLIKOVÁ Ľ., BALKOVIC S., SLADE R.C.: Macro-Defect Free Materials<br />
with Controlled Moisture Resistance, In: Nanotechnology <strong>of</strong> concrete: Recent developments<br />
and future perspectives, eds. K. Sobolev, S. P. Shah, American Concrete <strong>Institute</strong>, Michigan,<br />
145 – 155, 2008, ISBN 978-0-97031-299-1<br />
Editors <strong>of</strong> Special Journal Issues and Proceedings<br />
ŠAJGALÍK P., LENČÉŠ Z.: Multifunctional Ceramic Nanocomposites with Self-<br />
Diagnostic Ability <strong>of</strong> Catastrophic Damage, eds. J. A. Schwarz, C. I. Contescu, K. Putyera,<br />
Dekker Encyclopedia <strong>of</strong> Nanoscience and Nanotechnology 1, 2006, ISBN 0-8247-5055-1<br />
SCHUMACHER G., PRESTON S., SMITH A., ŠAJGALÍK P.: Future Perspectives <strong>of</strong><br />
European Materials Research, Matter and Materials 35, Forschung Centrum Juelich, 2007,<br />
130 pages, ISBN 978-3-89336-447-0<br />
ŠAJGALÍK P., DUSZA J., LENČÉŠ Z., HNATKO M., GALUSEK D., GHILLÁNYOVÁ<br />
K.: Ceramic Science and Technology, eds. R. Riedel and I-W. Chen, Bulk Ceramic<br />
Nanocomposites 1, WILEY-VCH GmBH & Co. KGaA, Weinheim, 347 – 375, 2008<br />
<strong>Foreign</strong> <strong>Cooperating</strong> <strong>Institutions</strong><br />
• Universität Karlsruhe, Institut für Keramik im Maschinenbau, Karlsruhe, Germany<br />
• Technische Universität Darmstadt, Fachgebiet Disperse Festst<strong>of</strong>fe, Darmstadt, Germany<br />
• <strong>Institute</strong> for Ceramic Technology, ISTEC, Faenza, Italy<br />
• University <strong>of</strong> Trento, Materials Science Department, Trento, Italy<br />
• National <strong>Institute</strong> for Advanced Industrial Science and Technology (AIST), Nagoya,<br />
Japan<br />
• University <strong>of</strong> Leeds, Materials Science Department, Leeds, United Kingdom<br />
• Austrian Research Center, Materials Science Division, Seibersdorf, Austria<br />
• Forschung Institut für Elektronenmikroskopie und Feinstruktur Forschung, TU Graz,<br />
Austria<br />
• Department <strong>of</strong> Material Science and Engineering, National Cheng Kung University,<br />
Tainan, Taiwan, PR China<br />
49
Electron microscope EVO ® 40 Series<br />
Selected Equipment<br />
Universal, multiple-purpose, scanning electron microscope EVO ® 40 represents the latest<br />
development trends in SEM technology with accurate and reproducible, full-mechanised stage<br />
with full range <strong>of</strong> vacuum modes and all new lenses with BeamSleeve technology. The<br />
superior X-rays geometry provides users the most exact analysis in high vacuum.<br />
X-ray diffractometer (Bruker D8 Advance Super Speed)<br />
The instrument is equipped with spinning copper anode (wave length 0.154 nm) and a Goebel<br />
mirror (horizontal divergence 0.03° FWHM). The measurement <strong>of</strong> X-ray diffraction in<br />
symmetric regime, grazing incidence <strong>of</strong> XRD, structural and voltage analysis <strong>of</strong> reflection and<br />
reciprocal space mapping are possible.<br />
50
DEPARTMENT OF HYDROSILICATES<br />
Members <strong>of</strong> the Department<br />
phone e-mail<br />
Head<br />
RNDr. Peter Komadel, DrSc. +421 2 59410 464 peter.komadel@savba.sk<br />
Scientific staff<br />
Mgr. Slávka Andrejkovičová, PhD. +421 2 59410 484 slavka.andrejkovicova@savba.sk<br />
RNDr. Juraj Bujdák, PhD. +421 2 59410 459 juraj.bujdak@savba.sk<br />
Mgr. Adriana Czímerová, PhD. +421 2 59410 471 adriana.czimerova@savba.sk<br />
RNDr. Jana Hrachová, PhD. +421 2 59410 485 jana.hrachova@savba.sk<br />
Mgr. Ľuboš Jankovič, PhD. +421 2 59410 459 lubos.jankovic@savba.sk<br />
RNDr. Jana Madejová, DrSc. +421 2 59410 406 jana.madejova@savba.sk<br />
Ing. Helena Pálková, PhD. +421 2 59410 485 helena.palkova@savba.sk<br />
Ing. Martin Pentrák, PhD. +421 2 59410 484 martin.pentrak@savba.sk<br />
Ing. Jana Valúchová, PhD. +421 2 59410 485 jana.valuchova@savba.sk<br />
Technical staff<br />
RNDr. Klára Hrnčiarová +421 2 59410 499 klara.hrnciarova@savba.sk<br />
Zora Lukáčová +421 2 59410 470 zora.lukacova@savba.sk<br />
Zuzana Rosíková +421 2 59410 470 zuzana.rosikova@savba.sk<br />
PhD. Student<br />
Mgr. Alexander Čeklovský +421 2 59410 471 alexander.ceklovsky@savba.sk<br />
51
Field <strong>of</strong> Scientific Interest<br />
Minerals from the smectite group, typically montmorillonites, are natural layered<br />
nanomaterials and the main minerals in bentonites. Their chemistry and modifications are<br />
investigated at the Department <strong>of</strong> Hydrosilicates since the foundation <strong>of</strong> the <strong>Institute</strong>. Primary<br />
interest is development and characterization <strong>of</strong> attractive novel materials based on modified<br />
smectites, such as hybrid nanomaterials with organic substances and intercalation compounds.<br />
Chemical modifications performed recently include replacement <strong>of</strong> exchangeable cations with<br />
protons and/or with various inorganic or organic cations, forming a systematic study targeted<br />
on the properties <strong>of</strong> raw and modified smectites. Their possible applications are in organic<br />
and inorganic hybrid materials, including smectite–polymer nanocomposites, optical materials<br />
based on hybrids with organic dyes, in numerous spheres <strong>of</strong> environmental protection, etc.<br />
The phenomena studied include new applications <strong>of</strong> IR and UV-VIS spectroscopic techniques<br />
in materials chemistry; surface acidity; fixation <strong>of</strong> cations; barrier and sorption properties with<br />
entrapping <strong>of</strong> environmentally hazardous compounds; properties <strong>of</strong> clay–polymer<br />
nanocomposites; for hybrids with dyes resonance energy transfer, luminescence, formation <strong>of</strong><br />
molecular aggregates and photoactivity.<br />
International and National Projects<br />
New clay – nanosemiconductive hybrids<br />
Bilateral Project within the Collaboration Program <strong>of</strong> Slovak Republic and Greece<br />
Duration: 2005 – 2006<br />
Principal Investigator in Slovakia: RNDr. P. Komadel, DrSc.<br />
Principal Investigator in Greece: Dr. M. A. Karakassides, Department <strong>of</strong> Materials Science<br />
and Engineering, University <strong>of</strong> Ioannina, Greece<br />
The chemical evolution <strong>of</strong> inorganic substances to amino acids, peptides<br />
and protein precursors on the primordial earth<br />
Bilateral Project No. GZ 45.530/1-VI/B/7a/2002<br />
Duration: 2002 – 2006<br />
Principal Investigator in Slovakia: RNDr. J. Bujdák, PhD.<br />
Principal Investigator in Austria: Pr<strong>of</strong>. B.M. Rode, <strong>Institute</strong> for General, <strong>Inorganic</strong> and<br />
Theoretical <strong>Chemistry</strong>, University <strong>of</strong> Innsbruck, Austria<br />
Chemical evolution<br />
Bilateral Project<br />
Duration: 2007 – 2008<br />
Principal Investigator in Slovakia: RNDr. J. Bujdák, PhD.<br />
Principal Investigator in Austria: Pr<strong>of</strong>. B.M. Rode <strong>Institute</strong> for General, <strong>Inorganic</strong> and<br />
Theoretical <strong>Chemistry</strong>, University <strong>of</strong> Innsbruck, Austria<br />
Novel porous materials based on layered silicates<br />
Bilateral Project within inter-academic agreements on scientific cooperation with Polish<br />
Academy <strong>of</strong> Sciences<br />
Duration: 2007 – 2009<br />
52
Principal Investigator in Slovakia: RNDr. J. Madejová, DrSc.<br />
Principal Investigator in Poland: Pr<strong>of</strong>. E. Serwicka, <strong>Institute</strong> <strong>of</strong> Catalysis and Surface<br />
<strong>Chemistry</strong>, Polish Academy <strong>of</strong> Sciences, Krakow, Poland<br />
Anisotropic fluorescent thin films based on organic dyes embedded in<br />
layered inorganics<br />
Bilateral Project within inter-academic agreements on scientific cooperation with Japan<br />
Society for the Promotion <strong>of</strong> Science<br />
Duration: 2008 – 2010<br />
Principal Investigator in Slovakia: RNDr. J. Bujdák, PhD.<br />
Principal Investigator in Japan: Dr. N. Iyi, National <strong>Institute</strong> for Materials Science,<br />
Tsukuba, Japan<br />
New hybrid materials based on fluorescent polymers on inorganic carriers<br />
Bilateral Project within inter-academic agreements on scientific cooperation with Bulgarian<br />
Academy <strong>of</strong> Sciences<br />
Duration: 2008 – 2010<br />
Principal Investigator in Slovakia: RNDr. J. Bujdák, PhD.<br />
Principal Investigator in Bulgaria: Assoc. Pr<strong>of</strong>. Ivo Grabchev, <strong>Institute</strong> <strong>of</strong> Polymers,<br />
Bulgarian Academy <strong>of</strong> Sciences, S<strong>of</strong>ia, Bulgaria<br />
Physical and chemical properties <strong>of</strong> layer silicates related to their<br />
environmental applications<br />
VEGA Project No. 2/6177/06<br />
Duration: 2006 – 2008<br />
Principal Investigator: RNDr. P. Komadel, DrSc.<br />
Supramolecular assemblies based on the molecular aggregates <strong>of</strong> organic<br />
dyes on the surface <strong>of</strong> layered silicates<br />
VEGA Project No. 2/6180/26<br />
Duration: 01/2006 – 12/2008<br />
Principal Investigator: RNDr. J. Bujdák, PhD.<br />
Organic modifications <strong>of</strong> natural nanomaterials<br />
APVT Project No. 51-050505<br />
Duration: 05/2006 – 04/2009<br />
Principal Investigator: RNDr. P. Komadel, DrSc.<br />
<strong>Cooperating</strong> <strong>Institutions</strong>: Polymer <strong>Institute</strong>, SAS, and Envigeo, j.s.c., Banská Bystrica,<br />
Slovakia<br />
Anisotropical energy transfer in hybrid nanomaterials based on layered<br />
silicates with organic dyes<br />
APVT Project No. 51-027405<br />
Duration: 05/2006 – 04/2009<br />
Principal Investigator: RNDr. J. Bujdák, PhD.<br />
<strong>Cooperating</strong> <strong>Institutions</strong>: J. Heyrovsky <strong>Institute</strong> <strong>of</strong> Physical <strong>Chemistry</strong> <strong>of</strong> the ASCR,<br />
Czech Republic, National <strong>Institute</strong> for Materials Science, Tsukuba, Japan<br />
53
Sciential and technological transfer in research and development <strong>of</strong> natural<br />
nanomaterials<br />
ESF Project No. 13120200048<br />
Duration: 2005 – 2008<br />
Principal Investigator: Faculty <strong>of</strong> Natural Sciences, Comenius University, Bratislava<br />
<strong>Cooperating</strong> <strong>Institutions</strong>: <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong> and <strong>Institute</strong> <strong>of</strong> Construction and<br />
Architecture, SAS, Bratislava<br />
Research and education centre <strong>of</strong> excellence for solid phase research<br />
focused on nanomaterials, environmental mineralogy and material science<br />
APVV-VVCE Project No. 0033-07<br />
Duration: 07/2008 – 06/2011<br />
Principal Investigator: Faculty <strong>of</strong> Natural Sciences, Comenius University, Bratislava<br />
<strong>Cooperating</strong> <strong>Institutions</strong>: <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong>, SAS, Bratislava<br />
Selected Publications<br />
KOMADEL P., MADEJOVÁ J.: Acid activation <strong>of</strong> clay minerals. In: Handbook <strong>of</strong> clay<br />
Science, F. Bergaya, B.K.G. Theng, G. Lagaly ed., Developments in Clay Science, Elsevier,<br />
Vol. 1, 263 – 287, 2006<br />
BUJDÁK J., IYI N.: Spectral and structural characteristics <strong>of</strong> oxazine 4/hexadecyltri-<br />
Methylammonium montmorillonite films, <strong>Chemistry</strong> <strong>of</strong> Materials 18, 2618 – 2624, 2006<br />
KOMADEL P., MADEJOVÁ J., STUCKI J.W.: Structural Fe(III) reduction in smectites,<br />
Applied Clay Science 34, 88 – 94, 2006<br />
MADEJOVÁ J., PÁLKOVÁ H., KOMADEL P.: Behaviour <strong>of</strong> Li + and Cu 2+ in heated<br />
montmorillonite: Evidence from far-, mid-, and near-IR regions, Vibrational Specroscopy 40,<br />
80 – 88, 2006<br />
BUJDÁK J., MARTÍNEZ MARTÍNEZ V., LÓPEZ ARBELOA F., IYI N.: Spectral<br />
properties <strong>of</strong> rhodamine 3B adsorbed on the surface <strong>of</strong> montmorillonites with variable layer<br />
charge, Langmuir 23, 1851 – 1859, 2007<br />
CZÍMEROVÁ A., IYI N., BUJDÁK J.: Energy transfer between rhodamine 3B and oxazine<br />
4 in synthetic-saponite dispersioons and films, Journal <strong>of</strong> Colloid and Interface Science 306,<br />
316 – 322, 2007<br />
HRACHOVÁ J., MADEJOVÁ J., BILLIK P., KOMADEL P., FAJNOR V.Š.: Dry<br />
grinding <strong>of</strong> Ca and octadecyltrimethylammonium montmorillonite, Journal <strong>of</strong> Colloid and<br />
Interface Science 316, 589 – 595, 2007<br />
MADEJOVÁ J., ANDREJKOVIČOVÁ S., BUJDÁK J., ČEKLOVSKÝ A.,<br />
HRACHOVÁ J., VALÚCHOVÁ J., KOMADEL P.: Characterization <strong>of</strong> products obtained<br />
by acid leaching <strong>of</strong> Fe-bentonite, Clay Minerals 42, 527 – 540, 2007<br />
54
ANDREJKOVIČOVÁ S., JANOTKA I., KOMADEL P.: Evaluation <strong>of</strong> geotechnical<br />
properties <strong>of</strong> bentonite from Lieskovec deposit, Slovakia, Applied Clay Science 38, 297 –<br />
303, 2008<br />
ANDREJKOVIČOVÁ S., ROCHA F., JANOTKA I., KOMADEL P.: An investigation into<br />
the use <strong>of</strong> blends <strong>of</strong> two bentonites for geosynthetic clay liners, Geotextiles and<br />
Geomembranes 26, 436 – 445, 2008<br />
BUJDÁK J., CZÍMEROVÁ A., IYI N.: Structure <strong>of</strong> cationic dyes assemblies intercalated in<br />
the films <strong>of</strong> montmorillonite, Thin Solid Films 517, 793 – 799, 2008<br />
CZÍMEROVÁ A., IYI N., BUJDÁK J.: Fluorencence resonance energy transfer between<br />
two cationic laser dyes in presence <strong>of</strong> the series <strong>of</strong> reduced-charge montmorillonites: Effect <strong>of</strong><br />
the layer charge, Journal <strong>of</strong> Colloid and Interface Science 320, 140 – 151, 2008<br />
ČEKLOVSKÝ A., CZÍMEROVÁ A., PENTRÁK M., BUJDÁK J.: Spectral properties <strong>of</strong><br />
TMPyP intercalated in thin films <strong>of</strong> layered silicates, Journal <strong>of</strong> Colloid and Interface Science<br />
324, 240 – 245, 2008<br />
HRACHOVÁ J., KOMADEL P., CHODÁK I: Effect <strong>of</strong> montmorillonite modification on<br />
mechanical properties <strong>of</strong> vulcanized natural rubber composites, Journal <strong>of</strong> Materials Science<br />
43, 2012 – 2017, 2008<br />
KOMADEL P., ANASTÁCIO A.S., ANDREJKOVIČOVÁ S., STUCKI J.W.: Iron phases<br />
identified in bentonite from the Lieskovec deposit (Slovakia) by variable-temperature<br />
Mössbauer spectroscopy, Clay Minerals 43, 107 – 115, 2008<br />
<strong>Foreign</strong> <strong>Cooperating</strong> <strong>Institutions</strong><br />
• J. Heyrovsky <strong>Institute</strong> <strong>of</strong> Physical <strong>Chemistry</strong> <strong>of</strong> the ASCR, Prague, Czech Republic<br />
• <strong>Institute</strong> <strong>of</strong> <strong>Chemistry</strong>, Academy <strong>of</strong> Sciences <strong>of</strong> the Czech Republic, Czech Republic<br />
• <strong>Institute</strong> <strong>of</strong> Catalysis and Surface <strong>Chemistry</strong>, Polish Academy <strong>of</strong> Sciences, Krakow,<br />
Poland<br />
• <strong>Institute</strong> <strong>of</strong> Polymers, Bulgarian Academy <strong>of</strong> Sciences, S<strong>of</strong>ia, Bulgaria<br />
• University <strong>of</strong> Poitiers, CNRS, HydrASA, Poitiers, France<br />
• University <strong>of</strong> Aveiro, Aveiro, Portugal<br />
• University <strong>of</strong> Ioannina, Ioannina, Greece<br />
• Sheffield Hallam University, Sheffield, UK<br />
• National <strong>Institute</strong> for Materials Science, Tsukuba, Japan<br />
• Nagoya University, Graduate School <strong>of</strong> Engineering, Nagoya, Japan<br />
• Tokyo Metropolitan University Faculty <strong>of</strong> Urban Environmental Sciences, Tokyo, Japan<br />
• Yamaguchi University, Graduate School <strong>of</strong> Medicine, Yamaguchi, Japan<br />
• University <strong>of</strong> Illinois, Champaign-Urbana, USA<br />
• Monash University, Melbourne, Australia<br />
55
Selected Equipment<br />
UV-VIS spectrophotometer Cary 100 (Varian)<br />
Dr. A. Czímerová working at UV-VIS spectrophotometer<br />
Double beam spectrophotometer operating in the whole UV-VIS range (200-900 nm) is ideal<br />
for measuring an extensive set <strong>of</strong> samples from solutions to solid/non-liquid optical materials.<br />
It can be used for various scientific or applied industrial applications, e.g. quantitative<br />
analysis <strong>of</strong> chromophores (including biochemical compounds), measuring the reaction<br />
kinetics, etc.<br />
Nicolet 6700 FTIR spectrometer<br />
Dr. M. Pentrák working at FTIR spectrometer<br />
High research-grade Fourier Transform Infrared (FTIR) spectrometer is equipped by Smart<br />
Accessories including Orbit diamond single bounce ATR, Specular ATR, Diffuse Reflectance<br />
and Near-IR UpDRIFT TM . Smart Accessories are recognized by FTIR bench, which can<br />
automatically optimize the system for the measurement technique that best suits the sample<br />
type or problem.<br />
56
Head<br />
DEPARTMENT OF MOLTEN SYSTEMS<br />
Members <strong>of</strong> the Department<br />
phone e-mail<br />
Ing. Miroslav Boča, PhD. +421 2 59410 490 miroslav.boca@savba.sk<br />
Scientific staff<br />
Ing. Michal Korenko, PhD. +421 2 59410 463 michal.korenko@savba.sk<br />
Ing. Ladislav Kosa, CSc. +421 2 59410 495 ladislav.kosa@savba.sk<br />
Ing. Blanka Kubíková, PhD. +421 2 59410 414 blanka.kubikova@savba.sk<br />
Ing. Marián Kucharík, PhD. +421 2 59410 420 marian.kucharik@savba.sk<br />
Ing. Jarmila Mlynáriková<br />
(Cibulková), PhD.<br />
+421 2 59410 414 jarmila.mlynarikova@savba.sk<br />
Ing. Ivan Nerád, CSc. +421 2 59410 421 ivan.nerad@savba.sk<br />
Ing. Zuzana Netriová<br />
(Ivanová), PhD.<br />
+421 2 59410 414 zuzana.netriova@savba.sk<br />
Ing. František Šimko, PhD. +421 2 59410 420 frantisek.simko@savba.sk<br />
Technical staff<br />
Jarmila Heinleinová +421 2 59410 455 jarmila.heinleinova@savba.sk<br />
Ing. Iveta Macková +421 2 59410 492 iveta.mackova@savba.sk<br />
Ing. Eva Mikšíková +421 2 59410 492 eva.miksikova@savba.sk<br />
Ing. Jozef Priščák +421 2 59410 489 jozef.priscak@savba.sk<br />
RNDr. Roman Vasiljev<br />
+421 2 59410 489 roman.vasiljev@savba.sk<br />
57
Field <strong>of</strong> Scientific Interest<br />
The Department <strong>of</strong> Molten Systems deals with the investigation <strong>of</strong> liquids that can be<br />
characterized by the existence <strong>of</strong> columbic interactions at high temperatures. Basic physicochemical<br />
properties like phase equilibria, density, electric conductivity, viscosity, interfacial<br />
and surface tension are under the study together with the development <strong>of</strong> semi-empirical<br />
models for better understanding <strong>of</strong> the relations between the composition, properties and<br />
structure <strong>of</strong> inorganic melts. Preferentially, fluoride systems based on tantalum, niobium,<br />
titanium, tin and aluminium are the objects <strong>of</strong> the research. Ambition <strong>of</strong> the Department is the<br />
implementation <strong>of</strong> modern techniques, such as high temperature NMR and MAS NMR<br />
spectroscopy, high temperature neutron and synchrotron diffraction methods or secondary ion<br />
mass spectroscopy into the investigation <strong>of</strong> melts. . Rapid solidification processing is applied<br />
in order to prepare metastable phases with the structure close to that <strong>of</strong> the liquid phase.<br />
Applied research <strong>of</strong> the Department is connected with optimization <strong>of</strong> conditions for<br />
electrochemical aluminium production. In recent years circulations <strong>of</strong> impurities like<br />
phosphorus, iron, carbon, silicon and vanadium in the electrolyte for aluminium production<br />
and their distribution between aluminium, electrolyte, anode gases and graphite have been<br />
studied, with the aim to improve the efficiency <strong>of</strong> the production and quality <strong>of</strong> the produced<br />
aluminium.<br />
Projects and Cooperation<br />
Structure and solubility <strong>of</strong> niobium complexes: high temperature and high<br />
resolution solid state NMR study <strong>of</strong> the system KF-K2NbF7-Nb2O5<br />
Project No. 18182<br />
Duration: 2005 – 2006<br />
Principal Investigator in Slovakia: Ing. F. Šimko, PhD.<br />
In Collaboration with Centre de Recherches Sur Les Materiaux a Haute Temperature,<br />
CNRS, 1D, Avenue de la recherche Scientifique 45071 Orleans, France<br />
The formation <strong>of</strong> ox<strong>of</strong>luoroaluminates and Si and V impurities behaviour in<br />
the system NaF-AlF3-Al2O3<br />
VEGA Project 2/4071/04<br />
Duration: 2004 – 2006<br />
Principal Investigator: Ing. I. Nerád, CSc.<br />
Magnetostructural correlations in unconvential magnetic materials<br />
APVT Project No. APVT-20-005204<br />
Duration: 2005 – 2007<br />
Principal Investigator: Pr<strong>of</strong>. RNDr. A. Feher, DrSc., University <strong>of</strong> P. J. Šafárika in Košice<br />
Principal Investigator in IIC: Ing. M. Boča, PhD.<br />
The physico-chemical and thermodynamic properties <strong>of</strong> the industrial<br />
molten fluoride systems on the base <strong>of</strong> aluminium, niobium and tantalum<br />
APVT Project No. APVT-51-008104<br />
Duration: 2005 – 2007<br />
58
Principal Investigator: Ing. M. Korenko, PhD.<br />
The study <strong>of</strong> the fluoride molten-salts system with the potential for<br />
industrial application.<br />
VEGA Project 2/6179/26<br />
Duration: 2006 – 2008<br />
Principal Investigator: Ing. M. Boča, PhD.<br />
The behaviour <strong>of</strong> impurities in industrial electrolytes for aluminium<br />
production.<br />
VEGA Project 2/7077/27<br />
Duration: 2007 – 2009<br />
Principal Investigator: Ing. F. Šimko, PhD.<br />
Study <strong>of</strong> molten fluoride systems interested for cooling systems in advanced<br />
high-temperature nuclear reactors.<br />
APVV Project No.SK-FR-0013/07<br />
Duration: 2008 – 2009<br />
Principal Investigator in Slovakia: Ing. F. Šimko, PhD.<br />
In Collaboration with Centre de Recherches Sur Les Materiaux a Haute Temperature,<br />
CNRS, 1D, Avenue de la recherche Scientifique 45071 Orleans, France<br />
Selected Publications<br />
ŠIMKO F., BESSADA C., RAKHMATULLIN A., DANĚK V., BOČA M.: Multinuclear<br />
High Temperature NMR Study <strong>of</strong> Na3AlF6-FeO and Na3AlF6-Fe2O3 melts, European<br />
Journal <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong>, 4528 – 4532, 2006<br />
ŠIMKO F., DANĚK V., STAŠ M.: Long-Term Material Balance <strong>of</strong> Iron in Aluminum<br />
Reduction Cells, Metallurgical and Materials Transactions A 37A, 731 – 738, 2006<br />
KOSA L., MACKOVÁ I.: Determination <strong>of</strong> the Enthalpy <strong>of</strong> Fusion <strong>of</strong> K3TaF8 and<br />
K3TaOF6, Thermochimica Acta 447, 209 – 211, 2006<br />
KORENKO M., ONDERCIN M.: Interfacial Tension Between Aluminium and Cryolite<br />
Melts during Electrolysis <strong>of</strong> the System Na3AlF6-AlF3 (NaF)-Al2O3, Journal <strong>of</strong> Applied<br />
Electrochemistry 36, 1347 – 1352, 2006<br />
BOČA M., IVANOVÁ Z., KUCHARÍK M., CIBULKOVÁ J., VASILJEV R.,<br />
CHRENKOVÁ M.: Density and Surface Tension <strong>of</strong> the System KF–K2TaF7–Ta2O5,<br />
Zeitschrift fur Physikalische Chemie 220, 1159 – 1180, 2006<br />
NERÁD I., MIKŠÍKOVÁ E.: Thermochemical properties <strong>of</strong> the Fe-analogue <strong>of</strong> cryolite,<br />
Na3FeF6, Central European Journal <strong>of</strong> <strong>Chemistry</strong> 5, 508 – 515, 2007<br />
59
BOČA M., DANIELIK V., IVANOVÁ Z., MIKŠÍKOVÁ E., KUBÍKOVÁ B.: Phase<br />
Diagram <strong>of</strong> the KF-K2TaF7 and KF-Ta2O5 System, Journal <strong>of</strong> Thermal Analysis and<br />
Calorimetry 90, 159 – 165, 2007<br />
ŠIMKO F., BOČA M.: The Phase Analysis on the System Na3AlF6 – Na2SiO3, Helvetica<br />
Chimica Acta 90, 1529 – 1537, 2007<br />
KUBÍKOVÁ B., DANĚK V., GAUNE-ESCARD M.: Physicochemical Properties <strong>of</strong> Melts<br />
used for Electrodeposition <strong>of</strong> Niobium, Zeitschrift fur Naturforschung 62a, 540 – 544, 2007<br />
KUCHARÍK M., ŠIMKO F., DANIELIK V., BOČA M., VASILJEV R.: Thermal Analysis<br />
<strong>of</strong> the System Na3AlF6–NaVO3, Monatshefte fur Chemie 138, 1211 – 1215, 2007<br />
KORENKO M., KUCHARÍK M., VINCENC OBOŇA J., JANIČKOVIČ D., CORDÓBA<br />
R., DE TERESA J. M., KUBÍKOVÁ B.: Nanotubes Made from Deeply Undercooled<br />
Cryolite/Alumina Melts, Helvetica Chimica Acta 91, 1389 – 1399, 2008<br />
NERÁD I., MIKŠÍKOVÁ E.: Calorimetric Study <strong>of</strong> Melts in the System KF – K2NbF7,<br />
Central European Journal <strong>of</strong> <strong>Chemistry</strong> 6(2), 297 – 303, 2008<br />
KUBÍKOVÁ B., MLYNÁRIKOVÁ J., BOČA M.: Intermolecular Forces in NaF + KF +<br />
K2NbF7 System: Investigation <strong>of</strong> Surface Tension and Viscosity, Journal <strong>of</strong> Chemical and<br />
Engineering Data 53, 812 – 815, 2008<br />
MLYNÁRIKOVÁ J., BOČA M., KIPSOVÁ L.: The Role <strong>of</strong> the Alkaline Cations in the<br />
Density and Volume Properties <strong>of</strong> the Melts MF−K2NbF7 (MF = LiF−NaF, LiF−KF and<br />
NaF−KF), Journal <strong>of</strong> Molecular Liquids 140, 101 – 107, 2008<br />
KOSA L., MACKOVÁ I., PROKS I., PRITULA O., SMRČOK Ľ., BOČA M., RUNDLŐF<br />
H.: Phase Transitions <strong>of</strong> K2TaF7 within 680 – 800 o C, Central European Journal <strong>of</strong> <strong>Chemistry</strong><br />
6, 27 – 32, 2008<br />
• Kola Science Centre RAS, Apatity, Russia<br />
<strong>Foreign</strong> <strong>Cooperating</strong> <strong>Institutions</strong><br />
• Ecole Polytechnique IUSTI-CNRS, Marseille, France<br />
• Conditions Extrêmes et Matériaux: Haute Température et Irradiation-CNRS, Orléans,<br />
France<br />
• Nuclear Research <strong>Institute</strong>, Řež, Czech Republic<br />
60
Selected Equipment<br />
František Šimko in front <strong>of</strong> the NMR experimental device in a laboratory at CEMHTI in<br />
Orleans, France<br />
61
DEPARTMENT OF THEORETICAL CHEMISTRY<br />
Head<br />
Members <strong>of</strong> the Department<br />
phone e-mail<br />
RNDr. Ľubomír Smrčok, CSc. +421 2 59410 435 lubomir.smrcok@savba.sk<br />
Scientific Staff<br />
Mgr. Mariana Derzsi, PhD. +421 2 59410 475 mariana.derzi@savba.sk<br />
Mgr. Peter Hrobárik, PhD. +421 2 59410 487 peter.hrobarik@savba.sk<br />
Mgr. Stanislav Kedžuch, PhD. +421 2 59410 487 stanislav.kedzuch@savba.sk<br />
Dr. Vladimír G. Malkin, DrSc. +421 2 59410 469 vladimir.malkin@savba.sk<br />
Dr. Oľga L. Malkin, DrSc. +421 2 59410 422 olga.malkin@savba.sk<br />
Ing.Matúš Milko, PhD. +421 2 59410 468 matus.milko@savba.sk<br />
Ing. Eva Scholtzová, CSc. +421 2 59410 457 eva.scholtzova@savba.sk<br />
Ing. Štefan Varga, CSc. +421 2 59410 468 stefan.varga@savba.sk<br />
PhD. Students<br />
Mgr. Stanislav Komorovský +421 2 59410 481 uachstno@savba.sk<br />
Mgr. Michal Repiský +421 2 59410 481 michal.repisky@savba.sk<br />
Part-time Jobs<br />
Doc. Ing. Pavol Mach, CSc. +421 2 60295 682 mach@fmph.uniba.sk<br />
Pr<strong>of</strong>. RNDr. Jozef Noga, DrSc. +421 2 59410 417 jozef.noga@savba.sk<br />
Doc. Ing. Daniel Tunega, CSc. +421 2 59410 422 daniel.tunega@univie.ac.at<br />
Emeriti<br />
Ing. Slavomír Ďurovič, CSc. +421 2 59410 405 slavomir.durovic@savba.sk<br />
RNDr. Dalma Gyepesová, CSc. +421 2 59410 475 dalma.gyepesova@savba.sk<br />
63
Field <strong>of</strong> Scientific Interest<br />
The Department is engaged in three main research areas. Research activities <strong>of</strong> the first field<br />
are focused on developing advanced computational methods for treating electron correlation<br />
in molecules and solids. The second area covers studies on magnetic and electric properties <strong>of</strong><br />
medium-sized systems including calculations <strong>of</strong> NMR and EPR parameters <strong>of</strong> organometallic,<br />
biologically and catalytically active substances. Another related direction is connected with<br />
development and application <strong>of</strong> relativistic approaches for calculation <strong>of</strong> NMR and EPR<br />
parameters for heavy-element compounds. X-ray crystal structure determination and<br />
vibrational spectroscopy by inelastic neutron scattering in combination with solid state DFT<br />
calculations <strong>of</strong> technologically important materials is the objective <strong>of</strong> the third research field.<br />
International and National Projects<br />
FUNMIG: Fundamental processes <strong>of</strong> radionuclide migration<br />
FP6-EURATOM Project No. 516514<br />
Duration: 01/2005 – 12/2008<br />
Coordinator from IIC: Dr. V. Malkin, DrSc.<br />
Lanthanide chemistry for diagnostic and therapy.<br />
COST Project No. WG D18/02<br />
Duration: 01/1999 – 12/2006<br />
Coordinator from IIC: Dr. V. Malkin, DrSc.<br />
Towards a new level <strong>of</strong> accuracy in computations <strong>of</strong> molecular structure,<br />
molecular properties, spectroscopy and thermo-chemistry<br />
COST Project No. WG D26/12<br />
Duration: 01/2002 – 12/2007<br />
Coordinator from IIC: Pr<strong>of</strong>. RNDr. J. Noga, DrSc.<br />
COMCHEM - Centre for advanced Computational <strong>Chemistry</strong><br />
Centre <strong>of</strong> excellence <strong>of</strong> SAS: COMCHEM<br />
Duration: 01/2007 – 12/2010<br />
Coordinator from IIC: Pr<strong>of</strong>. RNDr. J. Noga, DrSc<br />
MEPA - Magnetoactivity, electroactivity and photoactivity <strong>of</strong> coordination<br />
compounds<br />
Centre <strong>of</strong> excellence <strong>of</strong> APVV: MEPA<br />
Duration: 01/2008 – 12/2011<br />
Coordinator from IIC: Dr. O. Malkin, DrSc.<br />
Application <strong>of</strong> DFT based methods for interpretation <strong>of</strong> NMR and EPR<br />
spectra <strong>of</strong> inorganic compounds (with emphasis on transition metal<br />
complexes) and biosystems<br />
APVV Project No. 51-045502<br />
64
Duration: 01/2003 – 12/2006<br />
Principal Investigator: Dr. V. Malkin, DrSc.<br />
Towards a higher accuracy in relativistic calculations <strong>of</strong> electronic structure<br />
and magneto-resonance spectra <strong>of</strong> compounds containing heavy elements<br />
APVV Project No. 0625-06<br />
Duration: 01/2007 – 12/2009<br />
Principal Investigator: Dr. V. Malkin, DrSc.<br />
Properties <strong>of</strong> molecules with complicated electronic structure: Sophisticated<br />
calculations and predictions <strong>of</strong> spectroscopic and electric properties<br />
APVV Project No. 018405<br />
Duration: 01/2006 – 12/2009<br />
Principal Investigator: Pr<strong>of</strong>. RNDr. J. Noga, DrSc.<br />
Structure and dynamics <strong>of</strong> hydrogen bonds in solids by neutron diffraction,<br />
quantum chemistry and inelastic neutron scattering (INS)<br />
VEGA Project No. 2/6178/02<br />
Duration: 01/2006 – 12/2008<br />
Principal Investigator: RNDr. Ľ. Smrčok, CSc.<br />
Towards detailed knowledge <strong>of</strong> electronic structure from quantum chemical<br />
calculation<br />
VEGA Project No. 2/6182/27.<br />
Duration: 01/2006 – 12/2008<br />
Principal Investigator: Dr. O. Malkin, DrSc.<br />
Selected Publications<br />
VARGA Š., MILKO M., NOGA J.: Density fitting <strong>of</strong> two-electron integrals in extended<br />
systems with translational periodicity: The Coulomb problem, J. Chem. Phys. 124, 034106/1-<br />
7, 2006<br />
KAHN A., GRANOVSKY A.A., NOGA J.: Convergence <strong>of</strong> Third-Order Correlation Energy<br />
in Atoms and Molecules, J. Comput. Chem. 28, 547 – 554, 2007<br />
NOGA J., KEDŽUCH S., ŠIMUNEK J.: Second order explicitly correlated R12 theory<br />
revisited: A second quantization framework for treatment <strong>of</strong> the operators' partitionings, J.<br />
Chem. Phys. 127, 034106/1-11, 2007<br />
NOGA J., KEDŽUCH S., ŠIMUNEK J., TENNO S.: Explicitly correlated coupled cluster<br />
F12 theory with single and double excitations, J. Chem. Phys. 128, 174103/1-11, 2008<br />
BOKHAN D., TENNO S., NOGA J.: Implementation <strong>of</strong> the CCSD(T)-F12 method using<br />
cusp conditions, Phys. Chem. Chem. Phys. 10, 3320 – 3326, 2008<br />
65
KOMOROVSKÝ S., REPISKÝ M., MALKINA O. L., MALKIN V. G., MALKIN I.,<br />
KAUPP M.: Resolution <strong>of</strong> identity Dirac-Kohn-Sham method using the large component<br />
only. Calculations <strong>of</strong> g-tensor and hyperfine tensor, J. Chem. Phys. 124, 084108, 2006<br />
MALKIN E., MALKIN I., MALKINA O. L., MALKIN V. G., KAUPP M.: Scalar<br />
relativistic calculations <strong>of</strong> hyperfine coupling tensors using the Douglas-Kroll-Hess method<br />
with a finite-size nucleus model, Phys. Chem. Chem. Phys. 8, 4079 – 4085, 2006<br />
REVIAKINE R., ARBUZNIKOV A.V., TREMBLAY J-C., REMENYI C., MALKINA O.<br />
L., MALKIN V. G., KAUPP M: Calculation <strong>of</strong> zero-field splitting parameters: Comparison<br />
<strong>of</strong> a two-component noncolinear spin-density-functional method and a one-component<br />
perturbational approach, J. Chem. Phys. 125, 054110, 2006<br />
HROBÁRIK P., REVIAKINE R., ARBUZNIKOV A. V., MALKINA O. L., MALKIN<br />
V. G., KÖHLER F. H., KAUPP M.: Density Functional Calculations <strong>of</strong> NMR Shielding<br />
Tensors for Paramagnetic Systems with Arbitrary Spin Multiplicity. Validation on 3d-<br />
Metallocenes, J. Chem. Phys. 126, 024107, 2007<br />
KOMOROVSKÝ S., REPISKÝ M., MALKINA O. L., MALKIN V. G., MALKIN I.,<br />
KAUPP M.: A fully relativistic method for calculation <strong>of</strong> nuclear magnetic shielding tensors<br />
with a restricted magnetically balanced basis set in the framework <strong>of</strong> the matrix Dirac-Kohn-<br />
Sham equation, J. Chem. Phys. 128, 104101, 2008<br />
SMRČOK Ľ., LANGER V., KŘESŤAN J.: γ-Alumina: asingle-crystal X-ray diffraction<br />
study, Acta Crystallographica C62, i83 – i84, 2006<br />
LANGER V., SCHOLTZOVÁ E., MACH P., SOLČAN T, SMRČOK Ľ.: 2-<br />
Anilinomethylene-3-oxobutanenitrile: an X-ray and density functional theory study, Acta<br />
Crystallographica C62, o544 – o546, 2006<br />
SMRČOK Ľ., JORÍK V., SCHOLTZOVÁ E., MILATA V.: Ab initio structure<br />
determination <strong>of</strong> 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory<br />
powder data - a combined use <strong>of</strong> X-ray, molecular and solid-state DFT study, Acta<br />
Crystallographica B63, 477 – 484, 2007<br />
SLÁDKOVIČOVÁ M., SMRČOK Ľ., MACH P., TUNEGA D., KOLESNIKOV A. I.:<br />
Inelastic neutron scattering and DFT study <strong>of</strong>2-amino-3-hydroxymethyl-1,3-propane diol<br />
(TRIS), Chemical Physics 340, 245 – 259, 2007<br />
SLÁDKOVIČOVÁ M., SMRČOK Ľ., MACH P., TUNEGA D., RAMIREZ-CUESTA A.<br />
J.: Inelastic neutron scattering and DFT study <strong>of</strong> 1,6-anhydro-β-d-glucopyranose<br />
(levoglucosan), Journal <strong>of</strong> Molecular Structure 874, 108 – 120, 2008<br />
<strong>Foreign</strong> <strong>Cooperating</strong> <strong>Institutions</strong><br />
• Institut für Anorganische Chemie, Universität Würzburg, Germany<br />
• National Center for Biomolecular Research and Department <strong>of</strong> <strong>Chemistry</strong>, Faculty <strong>of</strong><br />
Science, Masaryk University, Brno, Czech Republic<br />
66
• Forschungszentrum Karlsruhe GmbH, Institut für Nukleare Entsorgung(INE), Karlsruhe,<br />
Germany<br />
• Institut de Chimie Moléculaire de l'Université de Bourgogne, Laboratoire ARECO<br />
(Architecture, Réactivité, Electrochimie et Catalyse Organométalliques), Dijon, France<br />
• Observatoire de Grenoble, Universite Joseph Fourier, Grenoble, France<br />
• <strong>Institute</strong> <strong>of</strong> <strong>Chemistry</strong>, Eotvös Lorand University, Budapest, Hungary<br />
• Graduate School <strong>of</strong> Information Science, University <strong>of</strong> Nagoya, Nagoya, Japan<br />
• Jaroslav Heyrovský <strong>Institute</strong> <strong>of</strong> Physical <strong>Chemistry</strong> <strong>of</strong> the ASCR, Prague, Czech<br />
Republic<br />
• Chalmers University <strong>of</strong> Technology, Göteborg, Sweden<br />
Selected Equipment<br />
Dr. E. Scholtzová working at a single crystal diffractometer during her visit to Pr<strong>of</strong>. V.<br />
Langer's Laboratory at Chalmers University <strong>of</strong> Technology, Göteborg, Sweden<br />
67
VITRUM LAUGARICIO<br />
Joint Glass Center <strong>of</strong> the <strong>Institute</strong> <strong>of</strong> <strong>Inorganic</strong> <strong>Chemistry</strong>, Slovak Academy <strong>of</strong> Sciences;<br />
Faculty <strong>of</strong> Chemical and Food Technology, Slovak University <strong>of</strong> Technology; Alexander<br />
Dubček University <strong>of</strong> Trenčín and RONA, j.s.c.<br />
Members <strong>of</strong> VILA<br />
Head phone e-mail<br />
Doc. Ing. Dušan Galusek, PhD. +421 32 7400 262 galusek@tnuni.sk<br />
Pr<strong>of</strong>. Ing. Marek Liška, DrSc. +421 32 7400 299 liska@tnuni.sk<br />
Scientific staff from IIC SAS<br />
Ing. Mária Chromčíková, PhD. +421 32 7400 251 chromcikova@tnuni.sk<br />
Ing. Radovan Karell, PhD. +421 32 7400 244 karell@tnuni.sk<br />
Ing. Jaroslav Sedláček, PhD. +421 2 59410 440 jaroslav.sedlacek@savba.sk<br />
Mgr. Peter Švančárek, PhD. +421 32 7400 244 svancarek@tnuni.sk<br />
Scientific staff from TnU AD<br />
Ing. Róbert Klement, PhD. +421 32 7400 244 klement@tnuni.sk<br />
Ing. Dagmar Galusková +421 32 7400 240 galuskova@tnuni.sk<br />
Ing. Jozef Chocholoušek, PhD. +421 32 7400 298 chocholousek@tnuni.sk<br />
Ing. Jozef Kraxner, PhD. +421 32 7400 461 kraxner@tnuni.sk<br />
Ing. Anna Prnová, PhD. +421 32 7400 251 prnova@tnuni.sk<br />
PhD. Students<br />
Ing. Jozef Chovanec +421 32 7400 461 chovanecj1@stuba.sk<br />
Ing. Monika Michálková +421 2 59410 443 monika.michalkova@savba.sk<br />
Mgr. Anna Piatriková +421 32 7400 251 anna.piatrikova@tnuni.sk<br />
Dipl. Ing. Stefan Reschke (ext.) stefan.reschke@int.fhg.de<br />
69
Field <strong>of</strong> Scientific Interest<br />
The research in the laboratory covers two areas – the relation between composition, structure<br />
and properties <strong>of</strong> oxide glasses, and the study <strong>of</strong> processing, microstructure, and properties <strong>of</strong><br />
polycrystalline ceramic materials. The first area involves the study <strong>of</strong> volume, structural and<br />
enthalpic relaxation processes in silicate glasses, molecular dynamic simulations <strong>of</strong> structure<br />
<strong>of</strong> glasses, study <strong>of</strong> processes during the glass batch melting, electrochemistry <strong>of</strong> glasses and<br />
glass melts, development and optimisation <strong>of</strong> new glasses for industrial applications, and<br />
corrosion <strong>of</strong> glasses by aqueous media. The second area covers especially polycrystalline<br />
aluminas, with special attention paid to liquid phase sintered (LPS) aluminas, their<br />
microstructure characteristics and mechanical properties (e.g. wear), and the relations between<br />
the composition and structure <strong>of</strong> grain boundary phases and the properties <strong>of</strong> polycrystalline<br />
ceramic materials.<br />
Projects and Cooperation<br />
Chemical effects II<br />
Project No. DSR/SESPRI/04s029a (02/05/04)<br />
Duration: 2005 – 2006<br />
Principal Investigator in IIC: Pr<strong>of</strong>. Ing. M. Liška, DrSc.<br />
In Collaboration with VÚEZ j.s.c., Levice, Institue de Radioprotection et de Sureté<br />
Nucléaire, Clamart et Fontenay-aux-Roses, France<br />
Transparent alumina-based materials with outstanding mechanical<br />
properties<br />
VEGA Project No. 2/6181/26<br />
Duration: 2006 – 2008<br />
Principal Investigator: Doc. Ing. D. Galusek, PhD.<br />
<strong>Cooperating</strong> Institution: Alexander Dubček University <strong>of</strong> Trenčín, Trenčín<br />
Structure and properties <strong>of</strong> silicate glasses – thermodynamic models and<br />
molecular dynamics simulations vs. experiment.<br />
VEGA Project No. 1/3578/06<br />
Duration: 2006 – 2008<br />
Principal Investigator: Doc. Ing. D. Galusek, PhD.<br />
<strong>Cooperating</strong> Institution: Alexander Dubček University <strong>of</strong> Trenčín, Trenčín<br />
The complex analyze <strong>of</strong> the samples.<br />
Project<br />
1. ZOD No. 1079/2007/K (SUB1184856RB) Duration: 05.12.2007 – 07.02.2008<br />
2. ZOD No. 1090/2008/K (SUB1184856RB) Duration: 20.02.2008 – 20.03.2008<br />
3. suplement No. 1 for ZOD No. 1090/2008/K (SUB1184856RB) Duration: 18.06.2008 –<br />
18.07.2008<br />
Principal Investigator: Pr<strong>of</strong>. Ing. M. Liška, DrSc.<br />
70
Light weight and transparent armours<br />
Project NATO SfP – 981770<br />
Duration: 2005 – 2009<br />
Principal Investigator in IIC: Doc. Ing. D. Galusek, PhD.<br />
In Collaboration with Saint Gobain Advanced Ceramics, Turnov, Czech Republic, I<strong>of</strong>fe<br />
Phys.-Tech. <strong>Institute</strong> <strong>of</strong> the Russian Academy <strong>of</strong> Sciences, St. Petersburg, Russia, <strong>Institute</strong> for<br />
Single Crystals <strong>of</strong> Scientific Technological Complex ”<strong>Institute</strong> for Single Crystals” <strong>of</strong> the<br />
National Academy <strong>of</strong> Sciences, Kharkov,Ukraine<br />
Alumina-based electroceramics for advanced plasma sources<br />
APVV Project No. 0485-06<br />
Duration: 2007 – 2009<br />
Principal Investigator in IIC: Doc. Ing. D. Galusek, PhD.<br />
In Collaboration with Faculty <strong>of</strong> Mathematics, Physics and Informatics <strong>of</strong> Comenius<br />
University in Bratislava<br />
Measurement and calculation <strong>of</strong> stress relaxation in glass ware during<br />
forming and cooling processes.<br />
Project No. AV 4/0025/07<br />
Duration: 2007 – 2009<br />
Principal Investigator in IIC: Ing. M. Chromčíková, PhD.<br />
In Collaboration with RONA, j.s.c., Lednické Rovne<br />
Selected Publications<br />
ŠVANČÁREK P., GALUSEK D., LOUGHRAN F., BROWN A., BRYDSON R.,<br />
ATKINSON A., RILEY F.: Microstructure-stress relationships in liquid phase sintered<br />
alumina modified by the addition <strong>of</strong> 5 weight % <strong>of</strong> calcia-silica additives, Acta Materialia,<br />
54, 4853 – 486, 2006<br />
GALUSEK D., SEDLÁČEK J., ŠVANČÁREK P., RIEDEL R., SATET R., HOFFMANN<br />
M.: The influence <strong>of</strong> post-sintering HIP on the microstructure, hardness, and indentation<br />
fracture toughness <strong>of</strong> polymer-derived Al2O3–SiC nanocomposites, Journal <strong>of</strong> the European<br />
Ceramic Society 27[2-3], 1237 – 1245, 2007<br />
LICHVÁR P., ŠAJGALÍK P., LIŠKA M., GALUSEK D.: CaO–SiO2–Al2O3–Y2O3 glasses<br />
as model grain boundary phases for Si3N4 ceramics, Journal <strong>of</strong> the European Ceramic Society<br />
27[1], 429 – 436, 2007<br />
BODIŠOVÁ K., GALUSEK D., ŠVANČÁREK P., ŠAJGALÍK P.: Two-stage sintering <strong>of</strong><br />
alumina with submicrometer grain size, J. Am. Ceram. Soc. 90[1], 330 – 332, 2007<br />
GALUSEK D., SEDLÁČEK J., RIEDEL R.: Al2O3-SiC composites by warm pressing and<br />
sintering <strong>of</strong> an organosilicon polymer-coated alumina powder, J.Eur.Ceram.Soc. 27, 2385 –<br />
2392, 2007<br />
71
SEDLÁČEK J., GALUSEK D., ŠVANČÁREK P., RIEDEL R., ATKINSON A., WANG<br />
X.: Abrasive wear <strong>of</strong> Al2O3–SiC and Al2O3–(SiC)–C composites with micrometer- and<br />
submicrometer-sized alumina matrix grains, Journal <strong>of</strong> the European Ceramic Society 28,<br />
2983 – 2993, 2008<br />
PRNOVÁ A., KARELL R., GALUSEK D.: The preparation <strong>of</strong> binary Al2O3-Y2O3 glass<br />
microspheres by flame synthesis from powder oxide precursors, Ceramics-Silikáty 52[2], 109<br />
– 114, 2008<br />
MACHÁČEK J., GEDEON O., LIŠKA M.: Group connectivity in binary silicate glasses, J.<br />
Non-Crystalline Solids 352, 2173 – 2179, 2006<br />
CHROMČÍKOVÁ M., LIŠKA M.: Simple relaxation model <strong>of</strong> the reversible part <strong>of</strong> the<br />
StepScan ® DSC record <strong>of</strong> glass transition, J. Thermal Analysis and Calorimetry 84, 703 –<br />
708, 2006<br />
KLUVÁNEK P., KLEMENT R., KARÁČOŇ M.: Investigation <strong>of</strong> the conductivity <strong>of</strong> the<br />
lithium borosilicate glass system, J. Non-Cryst. Solids 353, 2004 – 2007, 2007<br />
MACHÁČEK J., GEDEON O., LIŠKA M., CHARVÁTOVÁ S.: First principles molecular<br />
dynamics <strong>of</strong> silicate oxynitride melt doped with scandium, yttrium and lanthanum, J. Non-<br />
Crystalline Solids 353, 2025 – 2028, 2007<br />
CHROMČÍKOVÁ M., LIŠKA M.: Viscosity and structural relaxation <strong>of</strong><br />
15Na2O·xMgO·(10-x)CaO·75SiO2 glasses, J. Thermal Analysis and Calorimetry 90, 421 –<br />
429, 2007<br />
GEDEON O., LIŠKA M., MACHÁČEK J.: Connectivity <strong>of</strong> Q-species in binary sodiumsilicate<br />
glasses, Journal <strong>of</strong> Non-Crystalline Solids 354, 1133 – 1136, 2008<br />
KARELL R., CHROMČÍKOVÁ M., LIŠKA M.: Properties <strong>of</strong> selected zirconia containing<br />
silicate glasses III, Ceramics – Silikáty 52, 102 – 108, 2008<br />
KRAXNER J., KLEMENT R., LIŠKA M.: High-temperature viscosity and density <strong>of</strong><br />
alumino-borosilicate glasses as a model system for commercial E-glass, Ceramics – Silikáty<br />
52, 148 – 154, 2008<br />
<strong>Foreign</strong> <strong>Cooperating</strong> <strong>Institutions</strong><br />
• Saint Gobain Advanced Ceramics, Turnov, Czech Republic<br />
• I<strong>of</strong>fe Physical Technical <strong>Institute</strong>, St. Petersburg, Russia<br />
• <strong>Institute</strong> for Single Crystals, Kharkov, Ukraine<br />
• Department <strong>of</strong> Materials, TU Darmstadt, Germany<br />
• Department <strong>of</strong> Materials, Imperial College, London, UK<br />
• <strong>Institute</strong> <strong>of</strong> Chemical Technology, Prague, Czech Republic<br />
• University <strong>of</strong> Pardubice, Czech Republic<br />
• VTUO Brno, Czech Republic<br />
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Varian Vista MPX<br />
Selected Equipment<br />
Optical Emission Spectroscopy in Inductively Coupled Plasma – chemical analysis <strong>of</strong><br />
solutions<br />
Varian GS280<br />
Atomic Absorption Spectrometry with graphite furnace and Zeeman correction for trace<br />
chemical analysis <strong>of</strong> solutions<br />
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