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The dynamics and bonding of the complex hydride LiBH4 have been investigated by vibrational spectroscopy and density functional theory (DFT). The combination of infrared, Raman, and inelastic neutron-scattering (INS) spectroscopies on hydrided and deuterat ...
This thesis introduces modern computational approaches for quantifying and analyzing both intra- and intermolecular interactions. An original formalism to quantify intramolecular interactions ab initio is first introduced. Inspired from intermolecular Symm ...
In the current work, free volume concepts, primarily applied to glass formers in the literature, were transferred to ionic liquids (ILs). A series of 1-butyl-3-methylimidazolium (C4MIM) based ILs was investigated by Positron Annihilation Lifetime Spec ...
The lithium-intercalated fulleride Li12C60 was investigated in view of a lightweight hydrogen storage material due to the low molecular weight of its constituents. Deuterium (D2) absorption in Li12C60 shows an uptake of up to 9.5 mass % D2 (equivalent to ∼ ...
A number of methacrylate ionic monomers with different structures and mobilities of ionic centers were synthesized. The free-radical polymerization of these monomers in solution affords high-molecular-mass (M (sD) = 0.5 to 2.5 x 10(6)) thermally stable (T ...
This paper reports on low-temperature and hermetic thin-film indium bonding for wafer-level encapsulation and packaging of delicate and temperature sensitive devices. This indium-bonding technology enables bonding of surface materials commonly used in MEMS ...
Fluorescent nanoparticles (FNPs) are obtained in water by self-assembly from a polymeric ionic liquid, fluorescent carboxylate moiety, and a surfactant through two main supramolecular interactions, that is, ionic bonds and hydrophobic/hydrophilic interacti ...
The structure of solid-ionic liquid (IL) interfaces has been characterised with unprecedented clarity by employing a range of atomic force microscopy (AFM) imaging techniques and tip pressures appropriate for the system under study. Soft contact and amplit ...
We show with DFT calculations within the COSMO framework that the wetting energy of clean or hydroxylated anatase TiO2 surfaces is strongly enhanced by Ca deposition at low coverage. Two mechanisms contribute to this behavior: the ionic character of Ca ads ...
We prepared a quasi-solid electrolyte for dye-sensitized solar cells (DSSCs) that consist of ionic liquid and modified silica particles. Commercial bare silica F5 particles and modified silica F5 by NH2 and NH3+ groups were prepared, and fully characterize ...