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Electronic and structural properties of model catalysts based on cerium oxide
Duchoň, Tomáš ; Veltruská, Kateřina (advisor) ; Bartoš, Igor (referee) ; Kullgren, Jolla (referee)
Catalysts based on cerium oxide are ubiquitous in industrial-scale chemical conversion. Here, a thorough study of their fundamental properties is undertaken via a model system ap- proach with the goal of furthering rational design in heterogeneous catalysis. A focus is put on understanding the behavior of oxygen vacancies in cerium oxide with respect to atomic co-ordination and electronic structure perturbations. Utilizing state-of-the-art probing tech- niques, a scalable model system framework is developed that allows for control over both the oxygen vacancy concentration and local co-ordination. High precision of the innova- tive approach facilitated observation of new phases of substoichiometric cerium oxide and lead to a first-of-a-kind investigation of the electronic structure of cerium oxide throughout isostructural transition from CeO2 to Ce2O3. The acquired results advance fundamental understanding of essential properties of cerium oxide that are relevant to its utilization in heterogeneous catalysis and open new pathways for functionalization of cerium oxide-based materials. Furthermore, the methodology developed in the thesis is transferable to other important reducible oxides. 1
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Electronic structure of bimetallic systems - study of gas molecule interaction
Píš, Igor ; Nehasil, Václav (advisor) ; Bartoš, Igor (referee) ; Polčík, Martin (referee)
Bimetallic Rh-V system was studied by means of surface science experimental methods. Properties of ultra-thin Rh-V layers supported by γ-Al2O3 were compared with model systems prepared by vacuum V deposition on Rh(111), Rh(110) and polycrystalline rhodium. Formation of ordered V- Rh(111)-(2×2), V-Rh(110)-(2×1) and V-Rh(110)-(1×2) subsurface alloys and their electronic and atomic structure were investigated and models of the surface reconstructions were proposed. Influence of the subsurface alloy formation on interaction with CO and O2 molecules as well as the influence of the molecule adsorption on this alloy was investigated. The bond between CO molecules and Rh-V alloy surface was weakened due to pronounced changes in surface valence band structure. Oxygen which adsorbed on the alloy surface reacted with the subsurface vanadium at elevated temperature and blocked the interaction of the metal substrate with CO molecules.
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Study of the structure and of interaction with gas molecules of Rh-Sn and Rh-SnO2
Janeček, Petr ; Nehasil, Václav (advisor) ; Jirka, Ivan (referee) ; Bartoš, Igor (referee)
In this work we present the results of the analysis of the surface structures and absorption properties with respect to the CO and O2 molecules of the Sn/Rh and Rh/SnO2 model systems. In the part dedicated to the Sn structures on Rh surfaces with two different orientations - Rh(110) and Rh(111) - we have investigated the development of the core electron levels and valence band during the development of surface reconstructions and absorption of CO molecules. The surface reconstructions of the Sn/Rh(110) systems were studied for the first time. Difference in behaviour w.r.t. Sn/Rh(111) was observed and explanation offered. Finally, on in-situ prepared epitaxial SnO2 layers, the surface reconstruction (4×1) was observed. The CO adsorp- tion properties of Rh on polycrystalline and epitaxial SnO2 layers were also studied and difference in behaviour explained.
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