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Chemistry and Technology of Materials
Doctoral Programme,
Faculty of Chemical Technology
Doctoral study of Chemistry and Technology of Materials is a natural consequence of the long-time material research at UCT Prague. The study is based on the cutting-edge physical, chemical and engineering approaches to materials and material technology. Students develop their knowledge about materials; they find and comprehend deeper relationships among preparation and/or production of materials, structure and composition, and their properties. Inevitable part of the study are courses focused to deeper understanding of nature of materials, analytical methods, material characterization, and material technologies. CareersGraduates become not only leading experts in the field of material science and technology, but thanks to their experience in international teamwork they are predetermined to start their career in academic area, international research and technology corporations, innovative companies, and state government. Programme Details
Ph.D. topics for study year 2024/25Analysis of batch-to-glass conversion process
AnnotationThe goal of this project targets the analysis of one of the critical batch-to-glass conversion processes – the evolution and collapse of the primary foam at the batch-melt interface. This porous foam layer, which behaves as a form of insulation layer, results from the products of various gas evolving reactions that are being trapped in the primary melt. This project will focus on understanding the foam morphology, the reactions that lead to primary foaming.
Contact supervisor
Study place:
Laboratory of Inorganic Materials, FCT, VŠCHT Praha
Boranes: A route to the inertial confinement of proton-boron fusion
AnnotationThe aneutronic fusion of a proton and a 11B nucleus to give three 4He nuclei is the most efficient and ecologically safest energy source, millions of times more yielding than, say, the combustion of coal, and without any of the problems of radioactivity that nuclear fission brings. To achieve p-B fusion, enormous compressions of 10^5 times the density of solid materials are required. Advances in laser technology lead the way in creating such conditions, in which light generates powerful pressure waves through B and H containing plasma. Here, a better understanding of the ideal fuel and the characteristics of the target is needed. This project, supported by an EU Pathfinder grant, proposes the boranes as a fuel for aneutronic fusion. Boranes are comprised solely of atoms of B and H in ratios of approx.1:1 located in immediate proximity to each other –eliminating the need for any primary target, and boding well for confinement. We intend to use the versatility of borane chemistry to make a wide portfolio of fuel candidates, study their behaviour at the conditions of confinement, and demonstrate their utility in p-B fusion
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Luminescent metal clusters for biological applications
AnnotationMolybdenum clusters of nanometer dimensions are aggregates of six Mo atoms with ligands. The work includes their synthesis, study of stability, luminescence and biological effects. Upon activation by visible light, the clusters produce singlet oxygen, which is a highly reactive and cytotoxic species. We recently found that clusters can also be excited by X-rays. We have already obtained promising results in the field of X-ray-induced photodynamic therapy. Thus, Mo clusters represent effective compounds for the development of drugs for increasing the effectiveness of cancer radiotherapy, for photodynamic therapy or photoinactivation of bacteria.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Nanocrystalline materials for high-power photonics
AnnotationThe increasing power of infrared radiation sources requires new materials with increased luminescence efficiency and temperature stability. Rare earth-doped nanocrystalline materials represent a suitable alternative to conventional glass and single crystals. The work targets the preparation and characterization of transparent nanocrystalline materials on the system Y2O3-Al2O3-SiO2 doped with rare earth elements. The effects of the composition and conditions of preparation on the reaction and growth mechanisms of nanocrystals evenly distributed in an amorphous matrix will be studied. The studied system's composition will be modified to reduce the phonon energy of nanocrystals and increase the luminescence efficiency in the infrared region. A theoretical model of energy transfer in rare-earth ions will be elaborated, and the results will be compared with experimental results of luminescence measurements. Selected materials will be used for the preparation of active optical fibers, which will be tested in fiber laser set-ups.
Contact supervisor
Study place:
Department of Inorganic Chemistry, FCT, VŠCHT Praha
Cerium nanooxides for environmental and bio-applications
AnnotationThe work focuses on the preparation of nanostructured cerium oxides by various "wet chemical" methods and their use in environmental and bio-applications. The exceptional surface redox properties of CeO2 nanostructures enable the reactive adsorption/catalytic decomposition of dangerous pollutants (such as pesticides or pharmaceuticals in water), but also, chemical warfare agents. In addition, CeO2 nanoparticles show unusual pseudo-enzymatic properties and can thus mimic enzymes in living organisms, which could lead to the development of artificial enzymes, so-called nanozymes.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
New approaches to corrosion protection of steel reinforcement in concrete
AnnotationCorrosion of steel reinforcement is a major cause of damage to reinforced concrete structures, causing huge economic damage and posing a safety risk. The protection of reinforcement against corrosion has not yet been satisfactorily addressed. The approaches being developed are based on the selection of more resistant materials, the use of appropriate surface treatments and the application of corrosion inhibitors, sealing agents and electrochemical methods of corrosion protection. In particular, the use of electrochemical techniques to accelerate the transport of corrosion inhibitors to the reinforcement and to increase the effect of sealing agents will be studied. Methods for electrochemical testing of the effectiveness of these protective techniques will be developed.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
Novel types of substitutions at boron and carbon atoms in carboranes and metallacarboranes directed to non-taditional drugs
AnnotationThe scope of proposed PhD work involves study of thin films of multiferoic hexagonal ferrites with magnetoelectric properties synthetised by soft chemistry routes, and their complex chemical, microstructural, structural and physical characterization. The PhD study will be focused to the U, Y- and Z-type hexaferrites studied in the form of ceramics and thin films (https://www.annualreviews.org/doi/abs/10.1146/annurev-conmatphys-020911-125101). In particular, thin films will be prepared by means of chemical solution deposition methods using spin- or dip-coating deposition technique and their real (micro) structure (x-ray and neutron diffraction, electron microscopy) in relation to their functional properties will be studied. Physical investigations include measurements of electrical conductivity, dielectric properties complemented with the magnetic and magnetoelectric measurements (in cooperation with both domestic, and foreign physical laboratories).
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Titanium oxides and titanates for advanced applications
AnnotationLi-ion batteries are one of the most promising electrochemical power sources. Ti-based materials such as Li4Ti5O12, Li2Ti3O7, TiO2-B and H2Ti3O7, are considered as important anodes for Li-ion batteries due to their high safety and excellent cycling stability. Li-ion battery (LIB) technology (typically using carbon materials as the anode) faces serious challenges if it is to take over the hybrid electric vehicles and stationary power sources. Ti-based compounds, especially Li4Ti5O12 have been demonstrated as the most promising anode materials for large-sized LIBs since they exhibit excellent cycling reversibility and a high operating voltage to ensure improved safety. However, the rate capability of these Ti-based materials are relatively low because of a large polarization at high charge–discharge rates. To enhance its electrical conductivity, ion doping and surface modification, and ionic diffusivity by designing various nanosized materials were used. A new preparation method will be used based on the extraction of sulphate ions from the crystals of titanium sulphate hydrates and their replacement with hydroxyl groups in aqueous alkali solution. The method leads to nanostructured metatitanic acid or alkali titanates and is suitable also for metal doping the material.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Advanced high-entropy alloys with modifiable properties
AnnotationHigh entropy alloys belong to a relatively new group of materials which are characterized by the preferential formation of solid solutions instead of intermetallic compounds. These materials exhibit several excellent properties, foremostly high strengths while maintaining sufficient ductility, good corrosion resistance and others. By suitable processing of these alloys, it is possible to achieve further substantial improvement of these already very good properties. The work will be focused on the preparation of new advanced high-entropy alloys combining significantly higher strengths while maintaining sufficient plasticity.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
Limiting the risk of hydrogen embrittlement of steel by surface treatment
AnnotationTo advance the goals of decarbonisation of Europe, ways for increasing safety of metallic materials used for hydrogen storage and transport need to be sought, increasing the availability of hydrogen as an energy source. Within this study, possibilities for limiting the risk of hydrogen entry to new steel parts and existing steel installations by surface modification and coatings will be investigated. Namely, formation of protective oxide films, surface active inhibitors, and metallic or organic coatings will be studied. The aim will be to identify coatings and surface modification technologies capable of efficient and long-term reduction of atomic hydrogen formation and entry, or forming a barrier between gaseous hydrogen and steel, or otherwise reducing the sensitivity to hydrogen embrittlement. Series of experiments will be carried out to understand the role of different surface treatments in surface hydrogen activity and transport properties of hydrogen in coating materials using advanced techniques available in the hydrogen laboratory of Technopark Kralupy. Selected solutions will be tested in pressurized hydrogen. For the retrofitting applications, surface treatment of materials from natural gas storage facilities will be used. Access to natural gas storage facilities and their typical materials will be provided by a major operator of underground storages in the Czech Republic.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
Glass surface: structure, properties, modifications
AnnotationGlass surface is the poorly explored area, but it is closely related to its mechanical and chemical properties. The work will focus to the preparation of model glass surfaces, their characterization and modifications with ionising radiation and to the interaction of the surface with water.
Contact supervisor
Study place:
Department of Glass and Ceramics, FCT, VŠCHT Praha
Proton conductive metal-organic frameworks containing functionalized porphyrin building blocks
AnnotationThe constantly increasing world consumption of energy and the connected environmental problems require the development of new ecological energy sources, which includes a wider utilization of fuel cells and batteries. Proton-exchange membranes are an important part of the devices that separates the space of electrode half-cell reactions. Up to now, proton-exchange membranes are made of mainly conductive polymers which have several drawbacks; high manufacturing price, permeability for some fuels or amorphous character, which does not allow deeper understanding of the transport mechanism. Metal-organic frameworks (MOFs) are crystalline porous coordination polymers consisting of metallic nodes connected to each other by di- or multidentate organic ligands. The regular structure containing pores and the possibility of tuning their size, physical and chemical properties make these materials suitable for proton transport within the membranes in hydrogen fuel cells. The work is focused on the preparation of zirconium MOFs containing tetrakis(4-carboxyphenyl)porphyrin and its derivatives with an effort to maximize their proton conductivity. The prepared materials will be derived from the already known structures of PCN-222 and MOF-525, which are characteristic with a specific surface area of 2200 – 2600 m2/g, mesoporous character and, compared to other MOFs, exceptional chemical stability. Proton donating (phosphonates, phosphinates, sulfonates) or accepting (amines) functional will be introduced into the structures using the substitution of the porphyrin ligand and post-synthetic modification methods. The effect of these modifications on the proton conductivity of the resulting materials will be studied.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Preparation and study of novel metal-organic frameworks based on phosphinate ligands
AnnotationMetal-organic frameworks (MOFs) are porous crystalline materials based on the combination of metal centers or clusters and organic ligands with two or more coordinating groups. Wide scale of available metals and linker molecules allows for tuning the chemical and physical properties of MOFs and adjusting them for a particular application. Phosphinate coordinating group (POOH) forms stable bonds with metal centers while creating predictable coordination motifs, thus providing advantages over more traditionally used carboxylate and phosphonate groups. The aim of the thesis will be the preparation and characterisation of novel MOFs based on phosphinate linkers, with a focus on preparation of crystals suitable for structure determination by X-ray diffraction. The stability of MOFs will also be tested, as well as their potential applications such as pollutant sorption or electron and proton conductivity. The student will learn synthetic techniques for the preparation of linker molecules and MOFs as well as characterisation methods (NMR, powder and single crystal XRD, gas sorption, thermal analysis...) and probing their applications. The work will take place at the Institute of Inorganic Chemistry of the Czech Academy of Sciences in Řež.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Recycling silicon from spent photovoltaic panels for use in electric car batteries
AnnotationThe electrochemical activity of silicon in the anode of Li all-solid-state batteries (ASSB) will be measured. Al and Al2O3 components will be added to the silicon in various ratios to study and evaluate how they influence the activity of the silicon anode. The optimal ratio of the Al/Al2O3 content in the silicon anode will be determined to achieve the highest capacity and performance of the battery. Electrospinning technology will be used in the preparation of micro/nanofibers which will be pressed to form the composite materials of the anodes. Possible industrial applications will be identified and potential results will be patented.
Contact supervisor
Study place:
Department of Glass and Ceramics, FCT, VŠCHT Praha
Stability of soil ternary complexes with toxic oxyanion (As/Sb/Se). Effect of iron and organic carbon.
AnnotationIn soil profiles several toxic elements (arsenic, antimony, selenium) occur as oxyanions primarily bound to HFO phases, forming stable surface complexes. This process runs as the balanced adsorption of oxyanions from a soil solution to active adsorption sites of soil particles, in the presence of another anions and dissolved organic matter. During this process the binary and/or ternary soil complexes of HFO, organic matter and oxyanion have been formed. The adsorption and complexation proceed in a colloid environment, which is susceptible to the ionic strength of soil solution (stabilization or aggregation of particles). According to recent results the stability of formed ternary complexes is critical for the long-term stability of binding oxyanions. The aim of this work will be to qualify the formation of organic matter – ferric oxide – anionic particle ternary komplexes, to describe their structure and binding properties, and to estimate the environmental impact to the stability of complex components, particularly the toxic oxyanionic forms.
Contact supervisor
Study place:
Department of Solid State Chemistry, FCT, VŠCHT Praha
Synthesis and applications of activated borane as a perspective porous polymer
AnnotationActivated borane is a new type of porous polymer that was first prepared at the Institute of Inorganic Chemistry in Řež. Activated borane is formed by thermal co-thermolysis of borane clusters with organic molecules. Initial analysis shows that the polymer is probably composed of borane clusters connected by organic linkers coming from the organic molecules. Initial studies demonstrated that activated borane is a perspective material for sorption of water pollutants and as catalyst for Lewis-acid catalyzed reactions. The aim of the dissertation work will be the preparation of novel porous structures, characterization and the study of its applications, mainly as catalysts in Lewis acid-based reactions. During the course, the applicant will master systematic workflow in the laboratory, analysis of wide range of characterization methods (powder XRD, adsorption of nitrogen, FTIR, NMR, etc.) and performing application studies for testing sorption and catalytic degradation of pollutants. The work will be done at the Institute of Inorganic Chemistry in Řež
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Synthesis of chiral carboranes and metallacarboranes, their separation and interactions with organic systms
AnnotationThis topics deals with synthesis of asymmetric boron clusters, separation of enantiomers, and study of their interactions with chiral organic platforms. Although the axial chirality resembles that of some chiral organic platforms like BONOL or ansa- substituted metallocenes, the chemistry remains grossly unerexpored and offers broad possibilities.
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Melting processes in vitrification technologies
AnnotationThe analysis of the processes during the vitrification process is performed using a mathematical model. Input data of the model will be obtained by a set of experimental methods including high temperature monitoring of melting processes, analysis of released gases, thermal analysis and determination of oxidative reduction equilibrium in melts.
Contact supervisor
Study place:
Laboratory of Inorganic Materials, FCT, VŠCHT Praha
Thin films of multiferoic hexagonal ferrites with magnetoelectric properties
AnnotationThe scope of proposed PhD work involves study of thin films of multiferoic hexagonal ferrites with magnetoelectric properties synthetised by soft chemistry routes, and their complex chemical, microstructural, structural and physical characterization. The PhD study will be focused to the U, Y- and Z-type hexaferrites studied in the form of ceramics and thin films (https://www.annualreviews.org/doi/abs/10.1146/annurev-conmatphys-020911-125101). In particular, thin films will be prepared by means of chemical solution deposition methods using spin- or dip-coating deposition technique and their real (micro) structure (x-ray and neutron diffraction, electron microscopy) in relation to their functional properties will be studied. Physical investigations include measurements of electrical conductivity, dielectric properties complemented with the magnetic and magnetoelectric measurements (in cooperation with both domestic, and foreign physical laboratories).
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
Effect of environmental parameters and surface state on hydrogen entry
AnnotationTo assure safe operation of the infrastructure for transport and storage of hydrogen advancing the goals of decarbonisation of Europe, this project will focus on understanding into the effect of environmental parameters on processes controlling entry of atomic hydrogen into materials in contact with pressurized hydrogen. The risk of hydrogen embrittlement is affected by the quantity of diffusible hydrogen present in metallic material, with thresholds depending on material composition and microstructure. The role of environment (temperature, pH, redox potential, corrosivity, presence of recombination poisons), surface reactions (including adsorption) and surface state (contamination, oxide film, corrosion products) in hydrogen entry in dry pressurized hydrogen, humid hydrogen and water electrolyte in contact with pressurized hydrogen will be investigated. Critical factors controlling the entry and critical application conditions will be identified through understanding the underlying processes. Experiments combining exposures in deuterated water and gaseous hydrogen with the potential to gain deeper insight into the entry mechanism will be carried out at together with an Austrian partner. Industrial support with samples and advanced analytics will be provided by a major operator of underground storages in the Czech Republic. Machine learning techniques will be applied to treat the obtained data and find interdependencies.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
Hydratation and adsorption properties of waste aluminosilicates in water management
AnnotationAluminosilicates, together with e.g. powdered building waste, biochar, lignin are able to adsorb and keep a large amount of water compare to soils and sediments. The mixing of these materials with selected soils in controlled dosages can support water retention in soils, which is significant due to more and more often "dry periods" and generally lower precipitation. A controlled dosage of the material with high water retention to soil ecosystems can improve markedly a water regime and hydrological cycle.
Contact supervisor
Study place:
Department of Solid State Chemistry, FCT, VŠCHT Praha
The use of waste materials to increase the utility properties of modern alloy systems
AnnotationMetallic materials are nowadays reaching many application limits regarding their mechanical properties, which can not be further overcome by common techniques, including microstructural refinement or intensive plastic deformation. Therefore, incorporating new phase particles such as oxide or carbides seems to be highly perspective due to their ability significantly strengthen the alloys. In the frame of the dissertation, the possible utilization of waste materials to improve the properties of modern alloy systems will be studied.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
Use of culets recycled from photovoltaic panels to produce technical and utility glass
AnnotationThe glass samples will be melted from recycled culets and shaped into different final forms. Modifications of glass forms and function will be studied. Different glass forms, such as micro/nanofibers for glass textile mats, artistic and decorative glass, optical glass, and filaments with micro/nano particles and fibers for 3D printing will be produced using the addition of coloring lanthanoids in combination with electrospinning technology. The new functions of the glass will be measured and evaluated. Possible industrial applications will be identified and potential results will be patented.
Contact supervisor
Study place:
Department of Glass and Ceramics, FCT, VŠCHT Praha
Development of silicon anode materials for Li-ion batteries
AnnotationThe aim of this Ph.D. thesis is to develop a new type of high-capacity silicon-based anode materials for Li-ion batteries. Unique nanoengineered silicon based materials and composites will be prepared using chemical synthesis methods and low-temperature plasma-enhanced chemical vapor deposition (PECVD). The Ph.D. student will investigate the mechanism of stress accommodation and interface changes in silicon-based anode materials in contact with quasi-solid and solid electrolytes in Li-ion batteries. New approaches will be pursued for silicon interface engineering using different (i) silicon and nanosilicon structures, morphologies and composites, (ii) doping, (ii) pre-lithiation, and (iv) external pressure. The effects of these approaches will be explored in half cells and full cells using advanced structural, chemical, and electrochemical characterization techniques, including operando X-ray diffraction and operando Raman spectroscopy. These experiments will shed light on the fundamental principles of lithiation and delithiation processes occurring at the interfaces between novel silicon and solid or quasi-solid electrolytes. The experiments will also allow us to identify suitable conditions for avoiding long-term capacity fading and obtaining highly reversible lithiation of silicon anode materials in Li-ion batteries. Mastering the fabrication of silicon materials will enable the creation of stress-tolerable interfaces with low energy barriers for lithium diffusion and ultra-high capacity, paving the way for the future generation of all-solid-state and semi-solid-state lithium batteries.
Contact supervisor
Study place:
Department of Inorganic Chemistry, FCT, VŠCHT Praha
Improved durability and application properties of additively manufactured tools for automotive
AnnotationAdditive manufacturing (AM) provides the possibility of a step change in material efficiency by increasing the ‘buy-to-fly’ ratio by reducing material waste, design optimisation by placing material only where it is needed in a component, and the possibility of repair of components to dramatically extend service life. For these benefits to be fully realised, optimised circular approaches to AM are required including the use of recycled materials, improved feedstock (powder) manufacturing with increased yields, manufacturing with low or no defects and resultant parts with excellent performance including the ability to repair and remanufacture to dramatically improve life span. In order to reduce the carbon footprint of car production, this project will aim at optimization of additive manufacturing technologies in order to reach longer lifetime of produced tooling for car part production at reduced manufacturing environmental costs. It will be allowed by deeper understanding into the relationship between the properties of metal powder, manufacturing parameters and application properties. Tooling with improved corrosion, wear or heat resistance will thus be produced. In particular, the project will look at (1) understanding into the effect of powder composition on final performance of produced parts, (2) increase powder re-use or application of powders made of recycled metals, (3) optimization of post-treatment techniques such as fine machining, heat treatment and nitridation, (4) development of methodologies for assessment of product durability, including advanced defectoscopy techniques, mechanical tests and corrosion resistance, and (5) identification of areas where material or energy savings can be reached without compromising the application properties. The project will be carried out with the support of a major Czech car manufacturer and in cooperation with an Australian university.
Contact supervisor
Study place:
Department of Metals and Corrosion Engineering, FCT, VŠCHT Praha
2D and layered materials and their modification by ionic liquids
Annotation2D and layered materials (e.g. layered double hydroxides or alkoxides) will be prepared as self-supporting catalysts. These materials will be modified by ionic liquids (e.g. imidazolium type), containing metal. These ionic liquids will be immobilised on a surface of 2D or layered materials and all systems will be studied for heterogeneous catalysis (mainly ring opening catalysis).
Contact supervisor
Study place:
Institute of Inorganic Chemistry of the CAS
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Updated: 21.1.2022 15:24, Author: Jan Kříž