Research Group for Catalysis and Solid State Chemistry
group members
basic information
Founded in 1964 by Professor Adam Bielański
Currently in the group we can define three sub groups:
1. EPR spectroscopy, Molecular Modelling and Nanochemistry Group
2. Zeolites chemistry Group
3. Materials and Surface Chemistry Group
Group Members:
DSc Krzysztof Kruczała,DSc Witold Piskorz, DSc Piotr Pietrzyk, PhD Ewa Bidzińska, PhD Joanna Gryboś, PhD Paulina Indyka, PhD Janusz Janas,
PhD Katarzyna Podolska-Serafin, PhD Stefan Witkowski, PhD Filip Zasada, MSc Maria Sojka
PhD students:
MSc Aldona Kostuch, MSc Aneta Krasowska, MSc Kamila Sobańska
Distinguished Professors Emeritus:
Professor PhD DSc Krystyna Dyrek
Research Area:
The research interest of our Group covers spectroscopy and surface chemistry, molecular modeling, heterogeneous catalysis as well as chemistry of materials and food chemistry. The focus is put on i) preparation, characterization and reactivity studies of bulk, nanostructured and porous oxide materials that are functionalized by mono- and polinuclear complexes of transition metal ions, for guiding surface reactions along specific pathways ii) investigations into quantitative relationships between electronic and magnetic structure of solids and their reactivity, iii) mechanistic studies of simple and cyclic surface reactions associated with catalytic chemistry of small molecules (O2, NOx, COx, H2O, VOC) application of spectroscopic techniques, with emphasis on electron paramagnetic resonance, to examination of low symmetry functional and catalytic materials, interfacial spins processes and surface reactivity. The main objects of the investigations are various bulk, micro and mesoporous oxide materials, and nanocatalysts, carbonaceous materials and carbon replicas, as well as synthetic and natural polymers.
In our methodology we combine computational spectroscopy with reaction modeling and use of functional model systems capable of mimicking desired functionalities of real catalysts. Spectroscopic parameters of the postulated surface sites and reactive species are calculated to be directly compared with available experimental data providing quantitative bridge between the molecular structure of investigated species and their spectroscopic fingerprints. We provide expertise in the following research methods: EPR spectroscopy, X-ray diffraction (XRD), electron microscopy (TEM, SEM), surface spectroscopy (XPS), vibrational spectroscopy (FT-IR and Raman), optical spectroscopy (UV-VIS), thermal desorption methods (QMS-TPD, TPR, QMS-TPSR), sorption techniques including surface area analysis (BET), work function measurements (Kelvin Probe), reactivity investigations and kinetic studies.
Research Topics:
- a) Structure and surface reactivity of model catalytic systems containing paramagnetic transition metal ions of various spin multiplicity, dispersed in diamagnetic matrices
- b) Surface electron transfer and spin processes that are involved in reversible binding and activation of small molecules (O2, N2O, NOx, COx)
- c) Catalytic chemistry of deN2O, deNOx and deVOC processes (fundamental and applied studies)
- d) Computational EPR, IR and RS Spectroscopy of randomly oriented systems (calculation of spectral parameters by means of relativistic DFT methods, new approaches in spectra simulation and fitting, genetic algorithm optimization)
- e) Molecular modeling and Research into the relationships between structure and chemical properties of procatalytic materials, their surface reactivity and their ability for guiding reactions along specific pathways (microkinetics and thermodynamics ab initio)
- f) Hydrothermal and sol-gel synthesis and functionalization of oxide nanomaterials of tailored properties
- g) Polymer Electrode Membrane Fuel Cells
- h) Radical Processes in Food Chemistry
Recent publications:
- M. Lezanska, P. Pietrzyk, Z. Sojka,
“Investigations into the Structure of Nitrogen-Containing CMK-3 and OCM-0.75 Carbon Replicas and the Nature of Surface Functional Groups by Spectroscopic and Sorption Techniques”,
J. Phys. Chem. C, 114, 1208-1216 (2010) - F. Zasada, P. Stelmachowski, G. Maniak, J.-F. Paul, A. Kotarba, Z. Sojka,
“Potassium Promotion of Cobalt Spinel Catalyst for N2O Decomposition––Accounted by Work Function Measurements and DFT Modelling”, Catal. Lett., 127, 126-131 (2009) - P. Stelmachowski, G. Maniak, A. Kotarba, Z. Sojka,
„Strong Electronic Promotion of Co3O4 towards N2O Decomposition by Surface Alkali Dopants”,
Catal. Com. 10 (7), 1062-1065 (2009) - A. Adamski, P. Zapała, P. Jakubus, Z. Sojka,
“Structure and Surface Properties of Zirconia-Supported Molybdena Obtained by Slurry Deposition”,
Top. Catal., 52, 993-1000 (2009) - P. Stelmachowski, F. Zasada, G. Maniak, P. Granger, M. Inger, M. Wilk, A. Kotarba, Z. Sojka,
„Optimization of Multicomponent Cobalt Spinel Catalyst for N2O Abatement from Nitric Acid Plant Tail Gases: Laboratory and Pilot Plant Studies”,
Catal. Let. 130, 637-641 (2009). - P. Pietrzyk, K. Podolska, Z. Sojka,
„Resolving Conformation Dichotomy for Y- and T-Shaped Three-Coordinate NiI Carbonyl Complexes with Relativistic DFT Analysis of EPR Fingerprints”,
Chem.-Eur. J., 15, 11802-11807 (2009) - M. Inger, M. Saramok, M. Wilk, P. Stelmachowski, F. Zasada, G. Maniak, W. Piskorz, A. Adamski, A. Kotarba, Z. Sojka, P. Granger,
“Katalizator do Niskotemperaturowego Rozkładu Tlenku Azotu(I) ze Strumienia Gazów Resztkowych z Instalacji Kwasu Azotowego, Low Temperature Catalyst for Nitrous Oxide Decomposition from Nitric Acid Plant Tail Gases”,
Przemysł Chemiczny, 88(6), 730-733 (2009) - M. Łabanowska, K. Dyrek, E. Bidzińska, T. Fortuna, S. Pietrzyk, I. Przetaczek, J. Rożnowski, R.C. Socha,
„Effect of Sweeteners on Radical Formation in Starch Studied by Electron Paramagnetic Resonance Spectroscopy”,
Food Sci. Technol. Int., 15(4), 357-365 (2009) - J. Trawczyński, B. Ura, A. Adamski, M.J. Illan-Gomez, A. Bueno-López, F.E. López-Suárez,
”Sr(Mg)TiO3: Effect of Synthesis Conditions on Properties and Reactivity in Diesel Soot Combustion”,
Pol. J. Env. Stud., 18(1A) 237-242 (2009) - L. Chmielarz, P. Kuśtrowski, Z. Piwowarska, B. Gil, A. Adamski, B. Dudek, M. Michalik,
„Porous Clay Heterostructures (PCHs) Intercalated with Silica-Titania Pillars and Modified with Transition Metals as Catalysts for DeNOx Process”,
Appl. Catal. B, 91, 449-459 (2009) - T. Stawski, J. Szklarzewicz, A. Kotarba, P. Stelmachowski,
“The Modifications of Copper Work Function by Layer-by-Layer Deposition of [W(CN)8]4− – Co2+ Bimetallic Nanolayers”,
Polyhedron, 28, 473-478 (2009) - Z. Sojka, M. Che,
“Presentation and Impact of Experimental Techniques in Chemistry”,
J. Chem. Ed., 85(7), 934-940 (2008) - J. Babińska, K. Dyrek, A. Pieczka, Z. Sojka,
„X and Q Band EPR Studies of Paramagnetic Centres in Natural and Heated Tourmaline”,
Eur. J. Mineral., 20, 233-240 (2008) - K. Kruczała, K. Szczubiałka, Ł. Łańcucki, I. Zastawny, K. Góra-Marek, K. Dyrek, Z. Sojka,
„Spectroscopic Investigations into Degradation of Polymer Membranes for Fuel Cells Applications”,
Spectrochimica Acta Part A, 69, 1337-1343 (2008) - P. Stelmachowski, F. Zasada, W. Piskorz, A. Kotarba, J-F. Paul, Z. Sojka,
„Experimental and DFT Studies of N2O Decomposition over Bare and Co-Doped Magnesium Oxide––Insights into the Role of Active Sites Topology in Dry and Wet Conditions”,
Catalysis Today, 137, 423-428 (2008) - A. Adamski, Z. Sojka,
“EPR Studies on NO Interaction with MoOx/t-ZrO2 Catalysts Obtained by Slurry Deposition”,
Catalysis Today, 137, 283-287 (2008) - A. Adamski, B. Gil and Z. Sojka,
“Role of Vanadium Sites in NO and O2 Adsorption Processes over VOx/CeO2-ZrO2 Catalysts – EPR and IR Studies”,
Catalysis Today, 137, 292-299 (2008) - W. Piskorz, F. Zasada, P. Stelmachowski, A. Kotarba, Z. Sojka,
“Decomposition of N2O over the Surface of Cobalt Spinel: A DFT Account of Reactivity Experiments”,
Catalysis Today, 137, 418-422 (2008) - P. Pietrzyk, K. Podolska, Z. Sojka,
„DFT Analysis of g and 13C Hyperfine Coupling Tensors for Model NiI(CO)nOLm (n = 1-4, L = H2O, OH-) Complexes Epitomizing Surface Nickel(I) Carbonyls”,
J. Phys. Chem. A, 112, 12208-12219 (2008) - M. Ruszak, M. Inger, S. Witkowski, M. Wilk, A. Kotarba, Z. Sojka,
“Selective N2O Removal from the Process Gas of Nitric Acid Plants over Ceramic 12CaO•7Al2O3 Catalyst”,
Catalysis Letters, 126, 72-77 (2008) - W. Błaszczak, E. Bidzińska, K. Dyrek, J. Fornal, E. Wenda,
„Effect of High Hydrostatic Pressure on the Formation of Radicals in Maize Starches with Different Amylose Content”,
Carbohydrate Polymers, 74, 914-921 (2008) - P. Tomasik, O. Michalski, E. Bidzińska, A. Cebulska-Wasilewska, K. Dyrek, M. Fiedorowicz, P. Olko,
„Radioprotective Thermally Generated Free-radical Dextrins”,
Chinese Science Bulletin, 53(7), 984-991 (2008) - M. Łabanowska, E. Bidzińska, K. Dyrek, T. Fortuna, S. Pietrzyk, J. Rożnowski. R.P. Socha,
„Cu2+ Ions as a Paramagnetic Probe in EPR Studies of Radicals Generated Thermally in Starch”,
Starch, 60, 134-145 (2008) - E. Wenda, A. Bielański,
“The Phase Diagram of V2O5-MoO3-Ag2O System. Part III. Vanadium Rich Part of the Diagram”, J. Therm. Anal. Cal., 92, 921-929 (2008) - E. Wenda, A. Bielański,
„The Phase Diagram of V2O5-MoO3-Ag2O System. Part IV. Molybdenum Rich Part of the Diagram”, J. Therm. Anal. Cal., 92, 931-937 (2008) - E. Wenda, A. Bielański,
„The Phase Diagram of V2O5-MoO3-Ag2O System. Part V. Phase Diagram of the Ternary System”,
J. Therm. Anal. Cal., 93, 973-976 (2008) - F. E. López-Suárez, A. Bueno-López, M. J. Illán-Gómez, A. Adamski, B. Ura, J. Trawczynski,
„Copper Catalysts for Soot Oxidation: Alumina Versus Perovskite Supports”,
Environmental Science and Technology, 42 (20), 7670-7675 (2008) - T. Fortuna, I. Przetaczek, K. Dyrek, E. Bidzińska, M. Łabanowska,
„Some Physicochemical Properties of Commercial Modified Starches Irradiated with Microwaves”,
Electronic Journal of Polish Agricultural Universities, 11(4), 2008 - P. Pietrzyk, F. Zasada, W. Piskorz, A. Kotarba, Z. Sojka, „Computational Spectroscopy and DFT Investigations into Nitrogen and Oxygen Bond Breaking and Bond Making Processes in Model deNOx and deN2O Reactions”,
Catal. Today, 119, 219-227 (2007) - A. Adamski, E. Tabor, B. Gil, Z. Sojka, “Interaction of NO and NO2 with the Surface of CexZr1-xO2 Solid Solutions -Influence of the Phase Composition”,
Catalysis Today, 119 2007 114-119
Ph.D. theses in the last 10 years:
- ”Węglik molibdenu dotowany potasem jako katalizator modelowych reakcji hydroodazotowania i hydroodsiarczania ”
- ”Badanie ścieżek aktywacji i przemian spinowo-elektronowych towarzyszących oddziaływaniu małych cząsteczek z powierzchniowymi kompleksami metali przejściowych w kontekście reakcji deNOx”
- ”Stabilizacja potasu na powierzchni czystych i domieszkowanych modelowych faz katalizatora żelazowego do odwodorniania etylobenzenu”
- ”Modelowanie molekularne mechanizmu reakcji deN2O na wybranych układach tlenkowych”
- ”Synteza, domieszkowanie, charakterystyka spektroskopowa i reaktywność nanoporowatego glinianu wapnia o strukturze majenitu”
- ”Rozkład tlenku azotu(I) na modelowych katalizatorach tlenkowych”
- ”Zastosowanie algorytmów ewolucyjnych do wyznaczania parametrów widm EPR metodą symulacji komputerowej”
- ”Oddziaływanie centrów niklowych w zeolitach z małymi cząsteczkami - badania spektroskopowe i modelowanie molekularne ”
members of the group:
DSc Barbara Gil, DSc Kinga Góra-Marek, PhD Paweł Kozyra, PhD Eng. Bartosz Marszałek, PhD Wiesław Roth, PhD Eng. Karolina Tarach
PhD students:
MSc Kinga Gołąbek, MSc Justyna Grzybek, MSc Aleksandra Korzeniowska, MSc Justyna Tekla
Subject of research:
The studies of zeolitic catalysts as well as of mesoporous materials are realized. Two main research methods are applied: IR spectroscopy (we have an important experience in this subject) and quantumchemical calculations. We use also some other methods: NMR, EPR spectroscopy, XRD, adsorption studies, and catalytic tests.
The subjects of our research are following:
- IR spectroscopic studies and quantum chemical calculations concerning the active sites of on solid catalysts and especially in zeolites. Both acid sites (being active sites in numerous reactions in refinery industry and “fine chemistry”), and transition metal cations being active sites in “redox” (including “denox”) reactions.
- IR spectroscopic studies and quantum chemical calculations concerning the interaction of active sites in zeolites and mesoporous materials with reactant molecules. This kind of studies provides information on the activation of molecules participating in catalytic reaction by active sites.
Research group collaborates with several scientific institutes in Poland (Institute of Catalysis and Surface Chemistry of Polish Academy of Science, Institute of Nuclear Physics, and Technical University of Cracow), as well with foreign institutes in Universities of Paris, Poitiers, Caen, Genoa, Antwerp, Namur, Cambridge
Recent publications:
- B. Gil, A. Adamski,
"Characterization of Iron Species in Thermally MFI-type Zeolites – a Complementary use of IR and EPR Spectroscopies"
Micropor. Mesopor. Mater., 2010, 127, 82 - B. Gil, G. Kosova, J. Čejka,
"Acidity of MCM-58 and MCM-68 Zeolites: FTIR Study"
Micropor. Mesopor. Mater., 2010, 129, 256 - K. Góra-Marek
"The Reduction and Oxidation of Co Species in Zeolites CoZSM-5 Studied by IR Spectroscopy"
Catal. Today, 2009, 52, 1023 - S. Garg, K. Soni, G. M. Kumaran, R. Bal, K. Góra-Marek, J. K. Gupta, L. D. Sharma, G. M. Dhar,
"Acidity and Catalytic Activities of Sulfonated Zirconia Inside SBA-15"
Catal. Today, 2009, 141, 125 - K. Góra-Marek, H. Mrowiec, St. Walas,
"Cobalt Sites in Zeolites FAU – IR Investigations"
J. Molecular Structure, 2009, 923, 67 - J.-P. Gallas, J.-M. Goupil, A. Vimont, J.-C. Lavalley, B. Gil, J.-P. Gilson, O. Miserque,
"Quantification of Water and Silanol Species on Various Silicas by Coupling IR Spectroscopy and in-situ Thermogravimetry"
Langmuir, 2009, 25, 5825 - N. Žilkova, M. Bejblova, B. Gil, S.I. Zones, A. Burton, C.Y. Chen, Musilova-Pavlackova, G. Kosova, J. Čejka
"The Role of the Zeolite Channel Architecture and Acidity on the Activity and Selectivity in Aromatic Transformations: the Effect of Zeolite Cages in SSZ-35 zeolite"
J. Catal., 2009, 266, 79 - K. Góra-Marek, B. Gil, J. Datka
"Quantitative IR Studies of the Concentration of Co2+ and Co3+ in Zeolites CoZSM-5 and CoFER"
Appl. Catal., 2008, 353, 117 - P. Rejmak, E. Brocławik, K. Góra-Marek, M. Radoń, J. Datka,
"Nitrogen Monoxide Interaction with Cu(I) Sites in Zeolites X and Y: Quantum Chemical Calculations and IR Studies"
J. Phys. Chem. ,2008, 112, 17998 - K. Góra-Marek
"Skeletal Vibrations in CoZSM-5 Affected by Adsorbed Molecules and Reduction/Oxidation of CO Species"
J. Mol. Struct., 2008, 892, 331 - J. Załucka, P. Kozyra, M. Mitoraj, E. Brocławik
"Cu+, Ag+, Na+ Cationic Sites in ZSM-5 Interacting with Benzene: DFT Modelling, and IR Study"
Catal. Lett., 2008, 126, 241
TThe subjects of PhD thesis in years 1990 – 2010
- „IR studies of heterogeneity of hydroxyl groups in zeolites NaHZSM-5”
- „Physicochemical and catalytic characterization of alkoxyl groups in zeolites”
- „Heterogeneity of OH groups In zeolites studied by IR spectroscopy ”
- „Catalytic properties of zeolites”
- „The properties of Cu+ and Cu2+ cations in ZSM-5 zeolites and their activity towards CO, N2 and NO ”
- „Acid properties and structural vibrations of zeolites and related materials”
- „IR studies of transition metal cations in zeolites and their interaction with adsorbed molecules”
- „The mechanism of interaction of Cu+ and Ag+ in zeolites with reactant molecules (ethene, ethyne and formaldehyde) and their coadsorption with CO – quantumchemical modeling”
Group Members:
PhD Paweł Stelmachowski, PhD Eng. Monika Gołda-Cępa, PhD Gabriela Grzybek
PhD students:
MSC Klaudia Ciura, MSc Joanna Duch, MSc Tomasz Jakubek, MSc Wojciech Kaspera, MSc Sylwia Wójcik
Subject of research:
The main goal of the research carried out in „Materials and Surface Chemistry Group” is to gain an understanding of the processes taking place at the solid/gas interfaces and its application for the design of the surfaces with desired properties. The group conducts research on the preparation of new solid materials, modifications of their surfaces, and the study of their reactivity (adsorption/desorption of reactants, catalytic screening). The motivation of the research is both fundamental (interaction of small molecules with model surfaces, modification of surface electronic properties by alkali doping) and applied (characterization of real catalyst surfaces, patents of the new catalytic materials, and engineering of metal implant surfaces).
