Abstract Intense literature and research efforts have focussed on the exploration of complex hydrides for energy storage applications over past decades. A focus was dedicated to determination their thermodynamic hydrogen properties, due high gravimetric volumetric capacities, but application has been limited because harsh working conditions reversible release uptake. The present review aims at ...

Practical hydrogen storage for mobile applications requires materials that exhibit high hydrogen densities, low decomposition temperatures, and fast kinetics for absorption and desorption. Unfortunately, no reversible materials are currently known that possess all of these attributes. Here we present an overview of our recent efforts aimed at developing a first-principles computational approach...

Taking advantage of the unique properties two-component flavo-monooxygenases and ability [Cp*Ir(bpy-OMe)H]+ to transfer hydrides reduce flavins, we extended scope this pH- oxygen-robust iridium(III)-complex...

In recent years, internally Sn–N coordinated organotin hydrides have found an application in organic syntheses, which involve radical chain reactions. Unique reactivity of such hydrides suggests the potential of intramolecular coordination for the control of radical reactions. When the tin hydrides are used in the presence of Lewis acids single-enatiomer outcomes are accessible. This opens a ne...

Electrical generation from hydrogen, the element with higher energy density per unit mass, requires appropriated materials that can be used in its storage [1]. Palladium, with a high capacity to dissociate, absorb and desorb gaseous hydrogen, has been widely used for hydrogen storage [2], in separation membranes [3] and catalytic hydrogenation [4]. The present DFT calculations on clusters model...

A comparison of the hydrogen release and uptake (cycling) capability of Ti-doped NaAlH4, LiAlH4 and Mg(AlH4)2 as a function of Ti dopant concentration, temperature, pressure, and cycle number is reported. Temperature programmed desorption revealed hydrogen release capacities of around 3 wt% at 140 C, 3 wt % at 100 C and 6 wt% at 150 C, respectively for the Ti doped Na, Li and Mg alanates. In th...