Solid-state metal hydrides provide a safe and efficient way of storing hydrogen (Schlapbach 2002). They are commercialized for use in rechargeable batteries and developed for energy conversion devices such as fuel cells (see Hydrogen Metal Systems: Electrochemical Reactions). A great majority of metal hydrides derives from intermetallic compounds and alloys (see Hydrogen Metal Systems: Hydride ...

Hydrogen has a very diverse chemistry and reacts with most other elements to form compounds, which have fascinating structures, compositions and properties. Complex metal hydrides are a rapidly expanding class of materials, approaching multi-functionality, in particular within the energy storage field. This review illustrates that complex metal hydrides may store hydrogen in the solid state, ac...

Project Scope Our goal is to develop a multiscale approach to model desorption and adsorption of hydrogen in complex metal hydrides. In this initial stage of the project, we started by using density-functional-theory quantum chemical calculations to study the structure of complex metal hydrides and the interactions of hydrogen with the metal atoms in these hydrides. We analyzed the crystal stru...

Complex hydrides, containing a minimum of 7.5 wt% hydrogen, are being investigated as hydrogen storage compounds for automotive use. As a new project, the work to date has largely involved refurbishment of equipment and acquisition of study materials. Initial experiments have confirmed that the instrumentation is functioning and that the data being obtained agree with that in the literature. In...

The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic predict...

We report the design and synthesis of a series of new cyclometalated iridium hydrides derived from the C-H bond activation of aromatic nitrones and the biological evaluation of these iridium hydrides as antitumor agents. The nitrone ligands are based on the structure of a popular antioxidant, α-phenyl-N-tert-butylnitrone (PBN). Compared to cisplatin, the iridium hydrides exhibit excellent antit...

As a substitute for graphite, the negative electrode material commonly used in Li-ion batteries, hydrides have the theoretical potential to overcome performance limits of the current state-of-the-art Li-ion cells. Hydrides can operate through a conversion process proved for some interstitial hydrides like MgH2: MxAy + n Li = x M + y LimA, where m = n/y. Even if far from optimization, outstandin...