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Ph.D. Studies

The themes of Ph.D. projects in the Institute are given as follows:
Development and application of methods for computing the collision cross-section of electron scattering on polyatomic molecules.
Quantum chemical study of the electron scattering, collaboration with the experiment (Electron Energy Loss Spectroscopy).
prof. RNDr. ČÁRSKY Petr, DrSc.

Development of quantum chemical methods for accurate ab initio calculations.
The electron correlation problem, development of methods and programs, highly accurate calculations.
prof. RNDr. ČÁRSKY Petr, DrSc.

Quantum chemistry modeling of structure, reactivity, catalytic activity and properties of zeolites.
Zeolites; embedding; QMPOT; ONIOM; density function theory; ab initio.
RNDr. SKLENÁK Štěpán, Ph. D.

Chemical reactions of ions in gaseous phase and in collisions with surfaces.
Experimental investigation of elementary chemical reactions of ions with molecules in the gas phase and in collisions with solid surfaces using an instrument for studies of ion diffraction in particle beams. Investigation of ion reactions in a gas stream.
prof. RNDr. HERMAN Zdeněk, DrSc., prof. RNDr. ŠPANĚL Patrik, Dr. rer. nat.

Modification of solid surfaces by ion beams.
Investigation of the ion beam effects on surface chemistry by electron spectroscopy methods using the most advanced instrument (Scienta ESCA 310, Sweden). Molecular dynamics calculations simulating the ion-surface interaction.
RNDr. BASTL Zdeněk, CSc.

Nondestructive concentration depth profiling by XPS.
Nondestructive determination of the surface concentration gradients at solid surfaces modified by ion and laser beams using angle resolved photoelectron spectroscopy and lineshape analysis, scattering of electrons in solids.
RNDr. BASTL Zdeněk, CSc.

Laser photoacoustic spectrometry and its application to simulation of air pollution in a wind tunnel.

prof. RNDr. CIVIŠ Svatopluk, CSc., prof. Ing. ZELINGER Zdeněk, CSc.

Dynamics and structure of small ionic clusters studied with high resolution IR spectroscopy.

prof. RNDr. CIVIŠ Svatopluk, CSc., prof. Ing. ZELINGER Zdeněk, CSc.

Construction of an ultra-fast MID-IR and IR laser diode spectrometer based on nonlinear optical effects.

prof. RNDr. CIVIŠ Svatopluk, CSc., prof. Ing. ZELINGER Zdeněk, CSc.

Photochemistry in a matrix of noble gases. Chemical dynamics of molecules trapped in solid matrices studied with spectroscopic techniques and excimer

prof. RNDr. CIVIŠ Svatopluk, CSc.

Study of new types of superconducting materials using laser ablation technique.

prof. RNDr. CIVIŠ Svatopluk, CSc., RNDr. KUBÁT Pavel, CSc.

Interaction of porphyrins with biopolymers.
Experimental investigation of novel porphyrins, their complexes with DNA and proteins. Laser kinetic spectrosco[py of photoinduced processes.
RNDr. KUBÁT Pavel, CSc.

High resolution molecular spectroscopy: hyperfine structure of rotation levels in degenerated vibrational states.
Theoretical interpretation of sub-Doppler hyperfine spectroscopy. Study of effects of the nuclear quadrupole-nuclear spin rotation and of nuclear spin-spin interactions.
prof. RNDr. URBAN Štěpán, CSc.

Fluorescence correlation spectroscopy in biological, electrochemical and inorganic-chemical systems.
Experimental investigations using the FCS microscope on protein - protein interactions among protein components of the platelet cytoskeleton, on diffusion properties in zeolites layers as well as at liquid-liquid interfaces, and on DNA-intercalation.

Solvent relaxation in biomembranes.
Development and spectroscopic characterization of new membrane labels: time-resolved and steady state fluorescence measurements and methodological improvement of this new approach towards structural characterization of membranes.

Development of catalysts based on metal cations and oxide clusters in zeolitic matrices for reactions of NOx abatement.
Catalyst synthesis, spectroscopic characterization of redox centers (UV-VIS, IR, XPS) and surfaces complexes, relation to the catalytic activity in the NO reduction by hydrocarbons.
doc. Ing. SOBALÍK Zdeněk, CSc., Ing. WICHTERLOVÁ Blanka, DrSc.

MAS NMR spectroscopy of inorganic molecular sieves.
Experimental investigations of Al siting and distribution in the framework of alumosilicate molecular sieves and related properties using Si, Al, Na and H MAS NMR spectroscopy.
Mgr. DĚDEČEK Jiří, CSc. DSc.

Optical properties of transition metal ions in zeolite matrices.
Study of optical properties of transition metal ions located in inorganic molecular sieve matrices using UV-Vis-NIR diffuse reflectance spectroscopy and time-resolved laser-induced emission spectroscopy.
Mgr. DĚDEČEK Jiří, CSc. DSc.

Experimental and theoretical study of transport-related structural characteristics of porous supports and supported microporous matrices.
Experimental investigation of mass transport of gases and vapors in composite matrices by permeation techniques. Simulation of flow and diffusion in composite matrices in relation to the estimation and prediction of their permeability and selectivity and of diagnostics of membrane defects.

Heterogeneous nucleation of zeolite crystals on non-porous and porous supports and their growth in confined spaces.
The role of interfacial energy, template patterns and kinetic factors in the formation of composite matrices containing zeolites. Synthesis of membranes. Application of scanning electron microscopy, light microscopy and sorption techniques.

Study of sorption and immobilization phenomena in inorganic microporous membranes.
Measurement of sorption equilibria and kinetics. Measurement of permeation of single and binary species through the microporous matrices related to chemical transformations of species in membrane reactors (directed to the methane aromatization).
RNDr. ZIKÁNOVÁ Arlette, CSc.

Permeation and diffusion of atmosphere components (O2,H2O,CO2) through layers of bentonite and other natural sorbents used as barriers in deposits of
Characterization of material composition and texture. Measurements of sorption equilibria and kinetics. Appliaction of membrane techniques to the measurement of species diffusion and flow through unconsolidated sorbent layers.
RNDr. ZIKÁNOVÁ Arlette, CSc.

Synthesis and structure characteristics of mesoporous materials.
Preparation of optical transparent mesoporous molecular sieves with controlled porous system, in particular in the form of films.

Monomolecular films at the interface of two immiscible electrolyte solutions.
Investigation of the formation and properties of monomolecular films at the liquid/liquid interface and of their influence on the ion transfer dynamics, aimed at creating an ion-selective membrane with pores of defined properties (model of a biological membrane and of ion extraction). Use of electrochemical techniques for ion transfer monitoring calculation of surface tension from a digitalized visualization of the drop electrode.
prof. Ing. MAREČEK Vladimír, DrSc.

Electrochemical processes in monomolecular layers.
Preparation, properties and application of compounds for molecular electronics. Application of electrochemical methods (voltammetric and impendance measurements) aimed at determining the formation mechanism of organized structures and rate of the electron transfer.
doc. RNDr. POSPÍŠIL Lubomír, CSc.

Electrochemical properties of supermolecular complexes.
Synthesis of organometallic compounds and their complexes with cyclodextrines. Electrocatalytic carbonylation reactions inside a cavity of a cyclic polysacharide, suppresion of side processes limiting the catalytic effectivity.
doc. RNDr. POSPÍŠIL Lubomír, CSc.

Sonoelectrochemistry - utilization of ultrasound in organic electrochemistry.
Development of instrumental equipment, elucidation of physical principles (mechanism of the ultrasound effect on electrochemical processes), application of ultrasound in electrolysis (influence on the reaction mechanism and output).
KLÍMA Jiří, CSc.

Electrochemically induced luminescence and its utilization in the study of radical intermediates.
Selective electrochemical generation of radicals, origin of triplet or excited singlet states capable of eliminating light or of photochemical reacting without the excitation light. Elucidation of the dependence of emission on potential mechanism of the intermediates reactions energetics of their generation, "photochemistry without light".
prof. RNDr. LUDVÍK Jiří, CSc.

Voltammetric and spectroelectrochemical investigation of reduction of organic diselenides and their complexes with heavy metals.
Selenium frequently accompanies or substitutes sulphur in biologically relevant substances, diselenides are of importance in pharmacology and organic synthesis, significant also is their interaction with heavy metals. It is desirable to clarify reactivity of the mentioned compounds and corresponding intermediates in order to understand their role in biological systems.
prof. RNDr. LUDVÍK Jiří, CSc.

Study of the 1,2,4-triazine herbicides degradation.
Reduction, oxidation, catalytic and photochemical reactions of the mentioned substances, isolation and identification of the reaction intermediates and products. Modelling of the degradation processes in the nature, formulation of general conclusions on electronic interactions of the vicinal azomethine bonds with a support of quantum chemical calculations.
prof. RNDr. LUDVÍK Jiří, CSc.

Preparation and electrochemical properties of special oxidic materials.
Electrochemical and photoelectrochemical properties of TiO2 in the range from macroscopic single crystals down to nano- and Q-particles. Anodic photodegradation of model pollutants (e.g. herbicides) at TiO2. Lithium insertion and effect of the crystalline structure and morphology with regard to the "Li-ion type" batteries.
prof. RNDr. KAVAN Ladislav, CSc., DSc.

Electrochemical preparation of special carbon materials.
Preparation of carbon molecules and nanoparticles (in particular of fullerenes, nanotubes and peapods) and other special carbon materials (polyines) at room temperature. Analogous preparation of fullerenes and nanotubes modified by substitution of heteroatoms (e.g. N, B).
prof. RNDr. KAVAN Ladislav, CSc., DSc.

Scanning tunneling and atomic force microscopy in investigation of charge transfer reactions on nanostructured interfaces.
Charge transfer and catalytic reactions on supported metal nanoclusters. Specific properties of nanostructured surfaces - the stability and the nanotopography are investigated both using standard electrochemical techniques and by scanning probe microscopy in situ: scanning tunneling microscopy (EC STM) and atomic force microscopy (EC AFM). For investigation the reaction kinetics confined on single nanocluster the nanoprobe employing scanning electrochemical microscopy (SECM) technique is utilized. Nanostructured surfaces based on TiO2. The topography, photochemical properties correlated to doping level and sensibilization investigated using scanning probe microscopy (EC STM, EC AFM, SECM) and spectroscopic techniques (high resolution tunneling barrier and voltage spectroscopy) in situ.
Ing. JANDA Pavel, CSc.

Photodissociation studies of free clusters and nanoparticles of atmospheric relevance
A unique molecular beam apparatus is used to generate a beam of free clusters and nanoparticles in vacuum. Photodissociation and photochemistry of various molecules in the clusters is studied with a modern versatile UV-laser system. In this project clusters of atmospheric relevance, which play a role in, e.g., ozone depletion process, will be studied: ice nanoparticles doped with polutant molecules (hydrogen halides, HNO3, NOx, etc.). Theoretical calculations will be exploited in these studies too.
doc. Mgr. FÁRNÍK Michal, Ph.D., DSc., Mgr. SLAVÍČEK Petr, Ph. D.

Photochemistry of small biomolecules in cluster environments
In relevance to biophysics and biochemistry photochemistry of small isolated gas phase biomolecules has been investigated. A detailed information about the photochemical behavior of the real systems in the nature can be provided by studies of these processes in cluster environments. A unique molecular beam apparatus is used to generate a beam of free clusters in vacuum, and the photochemistry of the various molecules in the clusters is studied with a modern versatile UV-laser system.
doc. Mgr. FÁRNÍK Michal, Ph.D., DSc., Ing. POTERYA Viktoriya, Ph. D.

Implementation of imaging technique in cluster photodissociation studies
A novel experimental method -Ion Imaging- will be implemented in our cluster beam apparatus for photodissociation studies of clusters and nanoparticles. A small independent molecular beam apparatus will be built in the course of this project for development of the new method. The new technique will be used in studies of free clusters and nanoparticles namely of atmospheric and biological relevance.
doc. Mgr. FÁRNÍK Michal, Ph.D., DSc., Mgr. VOTAVA Ondřej, Ph. D.

Synthesis of hierarchical zeolites and their catalytic properties
Zeolites are crystalline microporous aluminosilicates with many exciting properties and high number of large-scale industrial applications in adsorption and particularly in catalysis. This project will be focused on the synthesis of novel two-dimensional zeolites by direct methods including preparation of special organic templates as well as by post-synthetic methods. The structure of two-dimensional materials, their chemical and textural properties will be investigated using a combination of diffraction, microscopic, adsorption and spectroscopic fingerprints (XRD, SEM, TEM, FTIR, NMR, UV-vis, adsorption). The materials prepared will be optimized to achieve high activities / selectivities in various organic reactions. This PhD study will be performed in cooperation with theoretical chemists. More info find in project
prof. Ing. ČEJKA Jiří, DrSc.

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