Institute of Inorganic Chemistry of the CAS, v. v. i.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Dr. Michael G. S. Londesborough

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The 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

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Jiří Henych, Ph.D.

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The 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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	Mgr. Tomáš Baše, Ph.D.

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Atomically precise metal clusters represent a developing area with materials properties of which are effected by their size and can be regarded as transient from an atomic level to bulk. Recently, we have reported the first few examples of hybrid metal and car(borane) clusters and demonstrated their exceptional thermal stability. This PhD theme will focus on new stable hybrid metal (car)borane cluster species of different nuclearity as well as on the synthesis of suitable (car)borane clusters terminated with different functional groups to open up the hybrid clusters to new chemistries. This topic covers numerous challenges that are of synthetic, analytical, or computational origin, and all of them relate to the huge size of the new hybrid clusters consisting of hundreds or thousands of atoms. This project is a part of multidiciplinary international cooperation.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Kaplan Kirakci, Ph.Dr.

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Molybdenum 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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Bohumír Grüner, CSc.

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The 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).

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Mgr. Matouš Kloda, Ph.D.

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Metal-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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Mgr. Jan Hynek, Ph.D.

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The 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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Jan Demel, Ph.D.

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Activated 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

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry ( in English language )
Supervisor:	RNDr. Karel Škoch, Ph.D.

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Catalysis with transition metal complexes represents well established approach to perform chemical transformations both efficiently and economically. Even though remarkable progress was achieved in this field, there are some disadvantages are associated with transition metal complexes such as high price, toxicity and environmental and strategic issues. Therefore, there is a steady demand for finding a new and alternate approaches towards catalysis using abundant main group elements. Boranylium salts represents a group of positively charged trivalent boron compounds. Their electrophilicity is enhanced by positive charge located at the boron, they are extraordinary strong Lewis acids. Advantageous is their synthetic availability and high reactivity, which makes them attractive for discovering new synthetic avenues, reagents and catalysts. The aim of the work will be preparation of boranylium salts stabilized by carbenes (and other donors), explore relations between their structure and reactivity mainly in regard of utilization as photophysical sensors or catalysts for C-H bond activation or CO2 fixation. Applicant will adopt advanced synthetic techniques on the borderline between organic and inorganic synthesis including Schlenk techniques and glovebox.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	RNDr. Bohumír Grüner, CSc.

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This 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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Josef Buršík, CSc.

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The 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).

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Jan Šubrt, CSc.

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Li-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.

Granting Departments:	Department of Inorganic Chemistry Institute of Inorganic Chemistry of the CAS, v. v. i.
Study Programme/Specialization:	Chemistry and Technology of Materials ( in English language )
Supervisor:	Ing. Petra Ecorchard, Ph.D.

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2D 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).