Cette thèse visait à développer des techniques de croissance électrochimiques d'oxydes pour obtenir des semi-conducteurs de type p utilisables comme photocathodes dans les cellules solaires à colorant (p-DSSC). Dans la littérature, la méthode d'électrodépôt n'a pas été explorée pour l'application p-DSSC. Les conditions de synthèse de films de NiO avec une épaisseur contrôlée ont été définies. Des couches de NiO ont été obtenues par électrodépôt en milieu aqueux, en milieu éthanol, en milieu diméthylsulfoxide DMSO et en milieu mixte DMSO/eau. Ces couches ont été caractérisées par DRX, spectroscopie Raman, MEB, mesures optiques, etc¿ puis testées comme photocathode dans des p-DSSC. L'électrodépôt de l'oxyde cuivreux Cu2O en milieu aqueux a été également étudié. Les rendements de conversion photovoltaïques des dispositifs ont été déterminés. Une nanostructuration des couches d'oxyde de nickel et d'oxyde cuivreux a aussi été réalisée en utilisant comme agent structurant des sphères de polystyrène fonctionnalisées par des groupements carboxyls. Enfin, nous avons exploré l'électrodépôt de la delafossite de cuivre CuFeO2 en milieu DMSO. / The objective of this thesis was the electrochemical deposition (ECD) of p-type semiconductors forthe fabrication of p-Dye Sensitized Solar Cells (p-DSSCs). The electrodeposition method remained unexploredfor the p-DSSC applications. The best conditions for ECD of nickel oxide layers with a controlled thickness havebeen defined. Nickel oxide has been deposited in water medium, in ethanol, in dimethyl sulfoxide (DMSO)medium and in a mixture of DMSO/water solvent. The layers have been characterized by XRD, Ramanspectroscopy, SEM, optical measurements… then have been tested as a photocathode in p-DSSCs. The cuprousoxide (Cu2O) electrodeposition in an aqueous bath has also been investigated. The photovoltaic efficiency of thevarious prepared layers has been evaluated in p-DSSCs. We have also prepared inverse opal organized structureswith a perfectly defined macropore organization and size using a macrosphere polystyrene template. Finally, wehave explored the ECD of a copper delafossite CuFeO2 in DMSO medium.

Hat sections, single and double, made of steel are frequently encountered in automotive body structural components such as front rails, B-Pillar, and rockers of unitized-body cars. These thin-walled components can play a significant role in terms of crashworthiness and impact energy absorption, through a nonlinear phenomenon called as progressive dynamic buckling. As modern vehicle safety design relies heavily on computer-aided engineering, there is a great need for analysis-based predictions to yield close correlation with test results. Although hat sections subjected to axial loading have been studied widely in the past, there is scanty information in published literature on modeling procedures that can lead to robust prediction of test responses. In the current study, both single-hat and double-hat components made of mild steel are studied extensively experimentally and numerically to quantify statistical variations in test responses such as peak load, mean load and energy absorption, and formulate modeling conditions for capturing elasto-plastic material behavior, strain rate sensitivity, spot-welds, etc. that can lead to robust predictions of force-time and force-displacement histories as well as failure modes. In addition, keeping initial stages of vehicle design in mind, the effectiveness of soft computing techniques based on polynomial regression analysis, radial basis functions and artificial neural networks for quick assessment of the behaviors of steel hat sections has been demonstrated. The study is extended to double-hat sections subjected to eccentric impact loading which has not been previously reported. A lightweight enhancement of load carrying capacity of steel hat section components has been investigated with PU (polyurethane) foam-filled single and double hat sections, and subjecting the same to quasi-static and axial impact loading. Good predictions of load-displacement responses are again obtained and shortening of fold lengths vis-à-vis hollow sections is observed. Finally, the performance of hat sections made of glass fiber-reinforced composites is studied as a potential lightweight substitute to steel hat section components. The challenging task of numerical prediction of the behaviors of the composite hat sections has been undertaken using a consistent modeling and analysis procedure described earlier and by choosing an appropriate constitutive behavior available in the popular explicit contact-impact analysis solver, LS-DYNA.

Philosophiae Doctor - PhD / In this study, the OMCVD method is demonstrated as a powerful, fast, economic and environmental friendly method to produce a set of PGMelectrocatalysts with different supports, metal content and metal alloys in one step and without the multiple processing stages of impregnation, washing, drying, calcinationsand activation. / South Africa

The thesis deals with magnetic force microscopy of soft magnetic nanostructures, mainly NiFe nanowires and thin-film elements such as discs. The thesis covers almost all aspects related to this technique - i.e. from preparation of magnetic probes and magnetic nanowires, through the measurement itself to micromagnetic simulations of the investigated samples. We observed the cores of magnetic vortices, tiny objects, both with commercial and our home-coated probes. Even domain walls in nanowires 50 nm in diameter were captured with this technique. We prepared functional probes with various magnetic coatings: hard magnetic Co, CoCr and soft NiFe. Hard probes give better signal, whereas the soft ones are more suitable for the measurement of soft magnetic structures as they do not influence significantly the imaged sample. Our probes are at least comparable with the standard commercial probes. The simulations are in most cases in a good agreement with the measurement and the theory. Further, we present our preliminary results of the probe-sample interaction modelling, which can be exploited for the simulation of magnetic force microscopy image even in the case of probe induced perturbations of the sample.

Over millions of years evolution has optimized the properties of materials via natural selection for many specific purposes. Indeed, natural materials have unique properties which come very close to perfection. Cells, for instance, are able to carry out intricate sequences of chemical reactions that are difficult or impossible to carry out ex vivo, cell membranes are the most complex selective and responsive semipermeable membranes that exist, and animal shells exhibit a clever nanostructure that renders them hard and tough at the same time. In short, materials scientists can learn a lot from nature’s materials. The perfection and performance of nature’s materials not only spark fascination, but also trigger the question as to why certain structures or surfaces exhibit outstanding properties and inspire research towards new materials. While the materials of living nature impressively serve dedicated purposes, they are formed under restricted conditions. For instance, they have to be designed to function under a narrowly defined set of physiological conditions, and can only be composed of building blocks an organism has available. Without these restrictions, material scientists can design entirely new materials or surfaces.

Diploma thesis Iron Functionalized Nanoparticles of Titanium Dioxide Lenka Volfová 2017, ABSTRACT Iron-functionalized TiO2 were obtained by hydrolysis of aqueous solutions of titanyl sulfate with addition of ferric nitrate with ammonium hydroxide and the reaction filtered and washed with hydrogen peroxide. The colloid solutions thus prepared were lyophilized and the products were subsequently annealed at three different temperatures of 650 řC, 800 řC and 950 řC. The prepared doped materials were characterized by powder X-ray diffractometry, electron microscopy, infrared spectroscopy, Mössbauer spectroscopy, UV/VIS spectroscopy, thermogravimetric analysis and differential thermal analysis, and measurement of the specific surface area. Photocatalytic activity was determined by measuring of the decomposition of kinetics of 4-chlorophenol in an aqueous solution in the ultraviolet and visible area. For comparison of activity in the UV area and in the visible area were used a previously prepared highly photoactive specimen and standard TiO2 from Kronos, respectively. Keywords: Doped titanium dioxide, nanostructure, X-ray diffraction, electron microscopy, Mössbauer spectroscopy, suppression of photoactivity

Block copolymer/inorganic nanoparticle hybrids draw great attention of scientists from various areas for their potential applications in diverse fields such as microelectronics, sensors, and solar cells. Inorganic nanoparticles (NPs) can be expected to be incorporated into block copolymers with order and selectivity by self-assembly of NPs and/or by synergistic self-assembly between NPs and block copolymers. The morphology and nanostructure order of block copolymers can be also adjusted and directed by incorporation of NPs. In this study, the effect of the size and modification of AuNPs on the morphology and nanostructure orientation of block copolymer PPMA-b-PMMA thin films were systematically investigated. The lateral BCP structure in thin films was improved by adding AuNPs. The controlled location of AuNPs in the BCP thin films depended on the particle size and stabilizing species. The re-orientation of cylindrical domains depended on the modification of AuNPs. PPMA-coated AuNPs, corresponding to the lower surface energy component of BCP, were powerful in directing the cylinders from parallel to perpendicular to the substrate. These results provide a general guide for other BCP/inorganic NP hybrid systems for desired morphology and nanostructure orientation.

Low dimensional semiconductor structures are modeled using techniques from the field of many-body atomic physics. B-splines are used to create a one-particle basis, used to solve the more complex many-body problems. Details on methods such as the Configuration Interaction (CI), Many-Body Perturbation Theory (MBPT) and Coupled Cluster (CC) are discussed. Results from the CC singles and doubles method are compared to other high-precision methods for the circular harmonic oscillator quantum dot. The results show a good agreement for the energy of many-body states of up to 12 electrons. Properties of elliptical quantum dots, circular quantum dots, quantum rings and concentric quantum rings are all reviewed. The effects of tilted external magnetic fields applied to the elliptical dot are discussed, and the energy splitting between the lowest singlet and triplet states is explored for varying geometrical properties. Results are compared to experimental energy splittings for the same system containing 2 electrons.

No description available.

Single-crystalline nanostructures often exhibit gradients of surface (and/or interface) curvature that emerge from fabrication and growth processes or from thermal fluctuations. Thus, the system-inherent capillary force can initiate morphological transformations during further processing steps or during operation at elevated temperature. Therefore and because of the ongoing miniaturization of functional structures which causes a general rise in surface-to-volume ratios, solid-state capillary phenomena will become increasingly important: On the one hand diffusion-mediated capillary processes can be of practical use in view of non-conventional nanostructure fabrication methods based on self-organization mechanisms, on the other hand they can destroy the integrity of nanostructures which can go along with the failure of functionality. Additionally, capillarity-induced shape transformations are effected and can thereby be controlled by applied fields and forces (guided or driven evolution). With these prospects and challenges at hand, formation and shape transformation of single-crystalline nanostructures due to the system-inherent capillary force in combination with external fields or forces are investigated in the frame of this dissertation by means of atomistic computer simulations. For the exploration (search, description, and prediction) of reaction pathways of nanostructure shape transformations, kinetic Monte Carlo (KMC) simulations are the method of choice. Since the employed KMC code is founded on a cellular automaton principle, the spatio-temporal development of lattice-based N-particle systems (N up to several million) can be followed for time spans of several orders of magnitude, while considering local phenomena due to atomic-scale effects like diffusion, nucleation, dissociation, or ballistic displacements. In this work, the main emphasis is put on nanostructures which have a cylindrical geometry, for example, nanowires (NWs), nanorods, nanotubes etc.