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First-Principle Study of Electronic Properties of Ultrathin Layers
Nezval, David ; Vázquéz, Hector (referee) ; Friák, Martin (referee) ; Bartošík, Miroslav (advisor)
Tato práce charakterizuje strukturní vlastnosti adsorbovaných atomů galia a molekul vody na grafenu. Zkoumá také změny elektronových vlastností grafenu způsobené adsorpcí jednotlivých adsorbentů. Výpočty pomocí teorie funkcionálu hustoty (DFT) jsou ideálním nástrojem pro zkoumání a vysvětlení fyzikálních a chemických procesů, které probíhají během adsorpce. Elektronové vlastnosti jsou studovány pomocí výpočtů pásové struktury a Baderovy analýzy náboje. Nedávná experimentální zjištění odhalila, že při nízké koncentraci atomy Ga dopují grafen elektrony (n-dopování). Tento dopovací efekt se snižuje při vyšších koncentracích Ga atomů, kdy dochází ke tvorbě klastrů. Tato práce představuje adsorpci jednotlivých atomů Ga a klastrů tvořených více atomy Ga. Zatímco jednotlivé atomy n-dopují grafen 0,64 elektrony, atomy vázané v klastrech na sebe vzájemně působí, a tím oslabují dopování grafenu. Tvorba klastrů je zásadně ovlivněna difuzí atomů Ga po povrchu grafenu. Proto je část práce věnována výpočtům energie difuzní bariéry a tomu, jak může být tato bariéra ovlivněna nabitím grafenu. Experimentální pozorování ukazují, že u grafenu jež je vystaven působení molekul vody, dochází k dopování kladnými nosiči náboje (p-dopování). Tato pozorování však nebyla podpořena výpočty DFT. Tato práce zkoumá vliv vícevrstvé vody na elektronové vlastnosti grafenu. Pozornost byla věnována ovlivňování dopování grafenu v závislosti na orientaci molekul vody v první vrstvě nejblíže grafenu. Prezentované výsledky ukazují p-dopování grafenu, když je 6 nebo více vrstev vody orientováno kyslíkem ke grafenu.
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Water treatment using high-capacity deionisation unit
Hucková, Katarína ; Mergl, Václav (referee) ; Repková, Martina (advisor)
Considering the growing global deficit of high-quality water and related environmental challenges, developing and optimising sustainable water treatment methods is crucial. This work focuses on capacitive deionization (CDI), an advanced technology for removing ions from water that utilizes an electric field for the adsorption and desorption of ions on electrodes. The experimental part of the study was dedicated to a detailed examination of various CDI cycles with respect to the efficiency of removing selected ions and their comparison with legislative standards for drinking water. The results suggest that CDI represents an effective method for reducing concentrations of ions such as chlorides, ammonium ions, calcium, and magnesium ions. The work also highlights the importance of regular flushing and regeneration of electrodes to maintain their efficiency and long-term stability of the system. The results confirm the functionality of capacitive deionization technology and its application in various industrial and environmental contexts, which is in line with worldwide research in this rapidly developing field.
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Optimization of Parameters Used in the Application of Elimination Voltammetry with Linear Scan
Navrátil, Tomáš ; Trnková, L. ; Hrdlička, Vojtěch ; Li, X.
Elimination Voltammetry with Linear Scan (EVLS) is a well-established mathematical method that aids in understanding an analyzed electrochemical system. In almost 30 years since its derivation, it has become a “black-box” technique that is applied automatically (in most cases due to its incorporation into a voltammetric software) without thinking about its fundamentals. However, the choice of optimum parameters under which DC voltammetric data (from which elimination curves are calculated) is crucial. This contribution deals with revealing the optimum ratio of applied scan rates and their absolute values (i.e., times of recording) in dependence on the character of the investigated system (diffusion-controlled process, adsorption-controlled process, etc.).
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Study of adsorption of organic pollutants on wheat bran biochar
Hanák, Jan ; Pořízka, Jaromír (referee) ; Diviš, Pavel (advisor)
This diploma thesis explores the application of the Diffusive Gradients in Thin Films (DGT) method for determining and monitoring the concentrations of dissolved pharmaceuticals and organic dyes in water and food. The theoretical part introduces the issue of the occurrence of these organic substances in water and food, the principles of the DGT method, the characteristics of adsorption and adsorption isotherms, and the introduction of biochar as an adsorbent. The experimental section primarily focuses on optimizing and validating adsorption gels containing commercial biochar and unmodified biochar from wheat bran for the adsorption of specific substances using the DGT method. Oxytetracycline was primarily tested from a selection of antibiotics and malachite green from organic dyes, which is widely used in aquaristics. The results demonstrate a comparison of the effectiveness of adsorption using these two types of adsorbents and their characteristics, such as infrared spectroscopy analysis or images from a scanning electron microscope. From the Langmuir isotherm, the maximum adsorption capacity for oxytetracycline on commercial biochar was found to be 314,065 mgg-1 and the maximum adsorption capacity for wheat bran biochar was 89,720 mgg-1. The maximum adsorption capacity of commercial biochar for malachite green was 439,406 mgg-1. The work further emphasizes the potential of the DGT method as a tool for food analysis and investigating contaminants in water systems, which further move into the food chain.
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Study of the interaction of hazardous metal – microplastic
Sinčáková, Lenka ; Řezáčová, Veronika (referee) ; Doležalová Weissmannová, Helena (advisor)
Mikroplasty, široko zastúpené vo vodnom prostredí, slúžia ako vektor širokej škály kontaminantov, vrátane ťažkých kovov. Táto práca sa zaoberá adsorpciou piatich ťažkých kovov (Pb, Hg, Zn, Cu and Cd) na polyetylén tereftalát (PET), rozšírený polutant riek a morí. Pokiaľ ide o vplyv veľkosti mikroplastov na proces adsorpcie, nebol zistený jasný trend. Salinita prostredia má značný vplyv na adsorpčný proces s pozorovateľným poklesom adsorbovaných množstiev v prostredí s vysokou iónovou silou. Analyzované ťažké kovy boli zoradené vzostupne podľa ich schopnosti adsorpcie na PET nasledovne: Hg
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Sorption ability of humic acids
Pokorná, Markéta ; Havelcová, Martina (referee) ; Klučáková, Martina (advisor)
The Diploma thesis deals with humic acids and their ability to adsorb metal ions on their surface. Humic acids are aromatic polycyclic compounds which contain carboxylic and fenolic functional groups on their sidechains. Thanks to these functional groups humic acids can form complexes with metal ions of different stability and assist the partial immobilization of pollutants in the nature. In this thesis, the sorption of Pb2+ and Zn2+ ions on humic acids was studied by relatively new electroanalytic method called galvanostatic stripping chronopotentiometry. Experimental data were described by Freundlich and Langmuir isotherms. The results show that the amount of examined metal ions increases with their increasing concentration. Furthermore it was determined that Pb2+ ions are adsorbed better on humic acids than Zn2+ ions. Both metals are adsorbed better from solution containing only one metal ion than in presence of four metals at the same time (Cd, Cu, Zn and Pb) where the sorption of these metals is not influenced by the presence of other metals.
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Application of activated carbon in flue gas treatment process
Navrátil, Petr ; Niesner, Jakub (referee) ; Jedlička, Filip (advisor)
The objective of this bachelor thesis is to explain the problematic of flue gas treatment from the air pollutants mainly by methods using adsorption on activated carbon. There is an introduction to environmental protection, description of selected chemicals, charcoal and description of technologies to remove pollutants in municipal waste incinerators, and finally mention the possibilities of disposal or reuse of a saturated carbon. And finally selection of appropriate methods and design for a specific application.
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Detection of biochemical substance using graphene sensor
Supalová, Linda ; Šimšíková, Michaela (referee) ; Bartošík, Miroslav (advisor)
Tato bakalářská práce studuje interakci biochemických látek s grafénem pomocí senzorů v uspořádání polem řízeného tranzistoru. Adsorbované atomy nebo molekuly mohou vyvolat dopování grafénové vrstvy, což může být experimentálně určeno pozorováním změny pozice Diracova bodu. Je studována závislost polohy Diracova bodu na přidané látce a stejně tak i časová odezva na přidání kapalného vzorku. Je pozorována citlivost na odlišné molekuly a jsou dikutovány důsledky výsledků pro adsorpci různých molekul.
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Upgrading biogas by PSA
Krhut, Štěpán ; Havlásek, Martin (referee) ; Zejda, Vojtěch (advisor)
This work deals with bio gas cleaning by a PSA method and modernizing of a laboratory unit. Raw bio gas contains many unwanted elements like carbon dioxide mostly which lowers its energy potential then. To extend the possibilities of usage of bio gas it is necessary to remove such elements. One of the well-known method for eliminating CO2 out of the bio gas is the method called Pressure Swing Adsorption (PSA). This work describes PSA method and compares it with other methods for cleaning the bio gas. In the following part of my work I am introducing the original laboratory PSA unit which is placed in the laboratory of UPI institution for research purposes. The modernization of the method was made by changing the manual valves for electromagnetic ones and there was also designed a new control system unit for two control modes. For manual and for automatic. The essential function is based on remote controlling the valves either by switches or by a program. The electric control panel was created for such required modes. The automated process was controlled by Arduino programming platform which was integrated into the panel. In the case of the next measurement and reading there was created a detailed description for user on how to operate the control panel and also the comments for control program of automatization.
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