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31	Everything you wanted to know about the TPA molecule adsorbed on Au(111) Svensson, Pamela H.W. January 2020 (has links) The electronic properties of Triphenylamine (TPA) in gas phase and adsorbed on gold(111) have been simulated with Quantum Espresso using Density Functional Theory (DFT). To better understand how the presence of a gold surface affects sunlight absorption in the system, partial Density Of States (pDOS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) of the system have been calculated. To describe the electronic excitation, three different methods have been used, No Core Hole (NCH), Full Core Hole (FCH) and Half Core Hole (HCH) approximation. The excitation of the TPA molecule was made in the nitrogen (N) atom and in the four different carbon (C) atoms with different electronic environments, C-ipso, C-ortho, C-meta and C-para. When using the HCH method, the absorbing atom must be described by a pseudopotential (PP) which includes half of a hole in the 1s orbital. This PP has been generated and a detailed summary of the process is described. The TPA/gold system relaxes to a position with the central N atom of TPA above an gold (Au) atom in the second layer of the surface and at a distance of 3.66 Angstrom, to the first layer. TPA keeps its symmetry with only small differences in the length of atomic bonds when adsorbed. The most striking result of this study is how the band gap of TPA is affected by the gold layer. From the pDOS we can observe that TPA in gas phase has a clear band gap of 2.2 eV with C-ortho dominating in the valence region and the four carbons dominating in the first unoccupied states. When depositing the molecule on the surface of Au(111), the band gap is essentially gone and a number of states appear between the previous highest occupied and lowest unoccupied molecular orbital in TPA. These new states align in energy with three clusters of states of the gold suggesting an interaction between the molecule and the surface. In the generated NEXAFS of nitrogen and carbon in TPA gas phase, one can observe a small pre-peak before the first unoccupied state. This is reinforced when adsorbing the molecule, which generates a pre-peak of approximately 3 eV in width. The pre-peak is connected to the new peaks seen in pDOS, correlating with experimental results on the same system. Everything you wanted to know about TPA molecule adsrobed on Au Au(111) Triphenylamin Triphenylamine DFT Quantum Espresso QE Generating Pseudopotentials NEXAFS DOS PDOS simulations organic solar cell perovskite HTM HCH NCH FCH PP geometry optimization Atom and Molecular Physics and Optics Atom- och molekylfysik och optik
32	Eco-Driving of Connected and Automated Vehicles (CAVs) Kavas Torris, Ozgenur 23 September 2022 (has links) No description available. Systems Design Technology Transportation Mechanical Engineering Experiments Engineering Energy Design Computer Science Automotive Engineering Eco-Driving Connected and Automated Vehicle CAV fuel economy optimization fuel savings Model-in-the-Loop MIL Hardware-in-the-Loop HIL Vehicle-in-the-Loop VIL Vehicle-to-Infrastructure V2I Vehicle-to-Vehicle V2V Vehicle-to-Everything V2X Unmanned Aerial Vehicles UAV speed profile
33	Kulturně společenské centrum u brněnské přehrady - architektonická studie objektů pro kulturně společenské i sportovní akce / The cultural and community centre near the Brno dam - the architectural design of buildings for cultural and social and sports events Šmihula, Michal January 2010 (has links) The design of cultural centre is situated in part Kozia Hôrka( well-known city swimming pool), in its advantage takes natural scenery and calm atmosphere of place. Into action of performance brings a message in form of body of reservoir, function of centre is divided into small parts placed in area Kozia Hôrka. Orientation of objects comes mainly from local natural ispirations. Complex is multifunctional in concept, counts with several sorts of culture - sports events. Whereby the main function of swimming pool is preserved and added for higher comfort of inhabitants. Architecture of objects comes from idea of floating leaf on water level and body of reservoir. Objects stylizely illustrate this idea. The design takes the game of solids of organic and strictly ortogonal shapes. Two mutual opposites, in interaction. Objects smoothy and with respect encroach the environment, which is enough marked by human. Simplicity in used materials ( glass, steel, wood ) give transparency and purity to whole solution.

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