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The work described in this thesis focuses on two classes of luminophores: tetraarylethene-based polymers and Ir(III) complexes with orthometalated ligands. Tetraarylethene-based polymers show aggregation-induced emission (AIE) and they are of interest for ...
Catalysts play a major role in chemical synthesis, and catalysis is considered to be a green and economic process. Catalysis is dominated by covalent interactions between the catalyst and substrate. The design of non-covalent catalysts came into limelight ...
This dataset contains four years of daily measurements of the natural isotopic composition (2H, 18O) of precipitation and stream water at the Alp catchment (area 47 km2) in Central Switzerland and two of its tributaries (0.7 km2 and 1.6 km2). In addition, ...
Lithium-excess cation-disordered rock-salt oxides (DRXs) are investigated intensively as cathode materials for future lithium-ion batteries combining cationic and anionic redox reactions. However, the lattice oxygen redox can cause severe oxygen release re ...
We report the formation of arbitrary photoconductive patterns made of tellurium (Te) nanocrystals by exposing a tellurite (TeO2-based) glass to femtosecond laser pulses. During this process, Te/TeO2-glass nanocomposite interfaces with photoconductive prope ...
We report on a self-organized process initiated on a potassium-tungsten-tellurite glass surface under repetitive femtosecond laser irradiation in a regime where cumulative effects lead to a localized melting. Specifically, we show that self-organized perio ...
Tremendous efforts have been made in developing highly selective catalysts for electrochemical CO 2 conversion to formate. However, the rapid deactivation resulting from structural reconstruction and phase transition poses considerable challenges to the sy ...
Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...
The formation of elemental trigonal tellurium (t-Te) on tellurite glass surfaces exposed to femtosecond laser pulses is discussed. Specifically, the underlying elemental crystallization phenomenon is investigated by altering laser parameters in common tell ...
The magnetic, noncollinear parametrization of Dudarev's DFT + U method is generalized to fully relativistic ultrasoft pseudopotentials. We present the definition of the DFT + U total energy functional and the calculation of forces and stresses in the case ...