Dynamics and Thermodynamics of a Novel Phase of NaAlH4
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The hydrogen dynamics in solid and in liquid LiBH4 was studied by means of incoherent quasielastic neutron scattering. Rotational jump diffusion of the BH4 - subunits on the picosecond scale was observed in solid LiBH4. The characteristic time constant is ...
The prerequisite for widespread use of hydrogen as an energy carrier is the development of new materials that can safely store it at high gravimetric and volumetric densities. Metal borohydrides M(BH 4) n (n is the valence of metal M), in particular, have ...
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 ...
The widespread adoption of hydrogen as an energy carrier could bring significant benefits, but only if a number of currently intractable problems can be overcome. Not the least of these is the problem of storage, particularly when aimed at use onboard ligh ...
Formic acid, containing 4.4 wt% of hydrogen, is a non-toxic liquid at ambient temperature and therefore an ideal candidate as potential hydrogen storage material. Formic acid can be generated via catalytic hydrogenation of CO2 or bicarbonate in the presenc ...
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 ...
Carbon dioxide and the carbonates, the available natural C-1 sources, can be easily hydrogenated into formic acid and formates in water; the rate of this reduction strongly depends on the pH of the solution. This reaction is catalysed by ruthenium(II) pre- ...
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 ...
Owing to their small mass, hydrogen atoms exhibit strong quantum behavior even at room temperature. Including these effects in first-principles calculations is challenging because of the huge computational effort required by conventional techniques. Here w ...
Metal borohydrides are potential materials for solid-state hydrogen due to their high gravimetric and volumetric hydrogen densities. Among them, Ca(BH4)2 is particularly interesting because of the predicted suitable thermodynamic properties. In this work, ...
