Single Quality Factor for Enthalpy-Entropy Compensation, Isoequilibrium and Isokinetic Relationships

Enthalpy-entropy compensation (EEC) is very often encountered in chemistry, biology and physics. Its origin is widely discussed since it would allow, for example, a very accurate tuning of the thermodynamic properties as a function of the reactants. However, EEC is often discarded as a statistical artefact, especially when only a limited...

Optical response of the sodium alanate system: GW0-BSE calculations and thin film measurements

We calculate from first principles the optical spectra of the hydrides in the sodium alanate hydrogen storage system: NaH, NaAlH4, and Na3AlH6. In particular we study the effects of systematic improvements of the theoretical description. To benchmark the calculations we also measure the optical response of a thin film of NaH. The simplest...

Lightweight sodium alanate thin films grown by reactive sputtering

We report the preparation of sodium alanate, a promising hydrogen storage material, in a thin film form using cosputtering in a reactive atmosphere of atomic hydrogen. We study the phase formation and distribution, and the hydrogen desorption, with a combination of optical and infrared transmission spectroscopy. We show that the hydrogen...