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We applied first principles molecular dynamics (MD) technique to study structure, dynamics, and magnetic interactions of the Gd3+ aqua ion dissolved in liquid water, a prototypical system for Gd-based complexes used as contrast agents for magnetic res ...
Supersilyl alk. metals (alkali supersilanides) tBu3SiM without or with donors (Do) like ethers, amines, arom. hydrocarbons are easily obtained by the action of alk. metals M on supersilyl halides tBu3SiX above room temp. in alkanes or donor-solvents like T ...
Substituted lithium transition-metal (TM) phosphate LiFexMn1-xPO4, materials with olivine-type structures are among the most promising next generation lithium ion battery cathodes. However, a complete atomic-level description of the structure of such phase ...
Layered hybrid organic-inorganic perovskite (LHOIP) materials are an emerging class of semiconductors endorsed as a more stable alternative compared to the more widely investigated 3D hybrid organic-inorganic halide perovskites (HOIP). Consisting of altern ...
An Eu NMR study in the ferromagnetic phase of pure and Gd-doped EuO was performed. A complete description of the NMR line shape of pure EuO allowed for the influence of doping EuO with Gd impurities to be highlighted. The presence of a temperature-dependen ...
We performed an Eu153 and Eu151 NMR study of EuO and Gd doped EuO using a home-made spectrometer designed to measure signals with fast spin-spin relaxation times. We determined and described the broadening mechanisms giving rise to the structure in the lin ...
The formation of photoexcited states in organic semiconductors, their separation into long-lived or stable charge carriers, as well as the charge transport are critical processes relevant to several important research fields and emerging technologies. Whil ...
We have investigated the influence of bound cations on the reduction of cobalt complexes of redox active ligands and explored the reactivity of reduced species with CO2. The one electron reduction of [CoII(Rsalophen)] with alkali metals (M = Li, Na, K) lea ...
Strategies for forming liquid dispersions of nanomaterials typically focus on retarding reaggregation, for example via surface modification, as opposed to promoting the thermodynamically driven dissolution common for molecule-sized species. Here we demonst ...
A series of fluorescent imidazolium-based salts contg. the cation [AnCH2MeIm]+ (in which An=anthracene and Im=the imidazolium cation) with Cl-, BF4-, PF6-, SO3CF3-, [N(CN)2]-, [N(SO2CF3)2]-, or PhBF3- anions have been prepd. and characterized. X-ray diffra ...
