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The dynamics and bonding of the complex hydrides LiBH4 and LiAlH4 have been investigated by vibrational spectroscopy. The combination of infrared, Raman, and inelastic neutron scattering (INS) spectroscopies on hydrided and deuterided samples reveals a com ...
We prepared a Mg-2 mass % multiwall carbon nanotubes composite employing a powder metallurgy technique. The kinetics of hydrogen absorption/desorption of the as-synthesized composite was much faster than that of reference samples of pure Mg. The pressure-c ...
Magnesium (Mg) and magnesium nickel (Mg-23.5 wt%Ni) reinforced with multiwalled carbon nanotubes (CNTs) were processed by powder metallurgy and then charged with hydrogen by annealing at 620 K under a pressure of 0.4 MPa of hydrogen. Mechanical spectroscop ...
A review. Many properties of single-walled carbon nanotubes (SWCNTs) make them ideal candidates for sensors, particularly for biol. systems. Both their fluorescence in the near-IR range of 820-1600 nm, where absorption by biol. tissues is often minimal, an ...
A class of peptides from the bombolitin family, not previously identified for nitroaromatic recognition, allows near-infrared fluorescent single-walled carbon nanotubes to transduce specific changes in their conformation. In response to the binding of spec ...
Iron containing ZSM-5 zeolites is extremely active in nitrous oxide decomposition. This reaction involves atomic oxygen species known as "alpha oxygen" on iron sites. Despite the multiple techniques devoted to its characterization, the active sites' struct ...
We demonstrate that the giant spin contrast observed by scanning tunneling microscopy for double-layer Coislands on Pt(111) is caused by adsorbates at the apex of the Cr-coated W tip. The most likely candidate, in ab initio simulations, is hydrogen. Here, ...
Experimental studies and density functional theory (DFT) computations suggest that oxygen and proton reduction by decamethylferrocene (DMFc) in 1,2-dichloroethane involves protonated DMFc, DMFcH+, as an active intermediate species, producing hydrogen perox ...
The adsorption of trimesic acid (TMA) on Cu(110) has been studied in the temperature range between 130 and 550 K and for coverages up to one monolayer. We combine scanning tunneling microscopy (STM), low-energy electron diffraction (LEED), reflection absor ...
Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...
