Effects of Ball Milling and TiF3 Addition on the Dehydrogenation Temperature of Ca(BH4)2 Polymorphs
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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 ...
The hybrid organic-inorganic perovskite (CH3NH3) PbI3 may find application in next generation solid-state sensitised solar cells. Although this material and related perovskites were discovered many decades ago, questions remain concerning their diverse str ...
The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...
A detailed knowledge of the structures of the catalytic steps along the Kok-Joliot cycle of Photosystem II may help to understand the strategies adopted by this unique enzyme to achieve water oxidation. Vibrational spectroscopy has probed in the last decad ...
In this work, a flexible metal-org. framework (MOF) (nickname BPene), [Ni'(L)Ni(CN)4]n (L=1,2-bis(4-pyridyl)-ethylene) that shows reversible structural transitions between low porosity and high porosity phases during the adsorption and desorption of CO2 ha ...
Gas-phase techniques are promising for studying intrinsically disordered peptides and proteins, as they can be implemented in a conformer-selective way. One of the issues that prevent them from finding a broader use is the question of to which extent the s ...
We present a simple electron time of flight spectrometer for time resolved photoelectron spectroscopy of liquid samples using a vacuum ultraviolet (VUV) source produced by high-harmonic generation. The field free spectrometer coupled with the time-preservi ...
We have investigated the infrared spectra of the quarter-filled charge-ordered insulators delta-(EDT-TTF-CONMe2)(2)X (X=AsF6, Br) along all three crystallographic directions in the temperature range from 300 to 10 K. DFT-assisted normal mode analysis of th ...
The development of nanostructured materials with predictable and controllable connectivity and functionalities has sparked a multitude of research directions. We have been studying emerging metal-org. framework (MOFs) systems and their adsorption propertie ...
A laser spectroscopic study on the structure and dynamics of cold host–guest inclusion complexes of crown ethers (CEs) with various neutral and ionic species in the gas phase is presented. The complexes with neutral guest species are formed by using supers ...