Complex metal hydrides such as sodium aluminohydride (NaAlH4) and sodium borohydride (NaBH4) are solid-state hydrogen-storage materials with high hydrogen capacities. They can be used in combination with fuel cells as a hydrogen source thus enabling longer operation times compared with classical metal hydrides. The most important point for a wide application of these materials is the reversibil...

potassium alanate is one of the goal candidates for hydrogen storage during past decades. in this report, initially the density functional theory was applied to simulate the electronic and structural characteristic of the experimentally known kalh4 complex hydride. the relaxation of unit cell parameters and atomic positions was performed until the total residual force reduced less than 0.001ev ...

This paper reports the results in the effort to destabilize lithium borohydride for reversible hydrogen storage. A number of metals, metal hydrides, metal chlorides and complex hydrides were selected and evaluated as the destabilization agents for reducing dehydriding temperature and generating dehydriding-rehydriding reversibility. It is found that some additives are effective. The Raman spect...

Low-nuclearity copper hydrides are rare and few well-defined dicopper have been reported. Herein, we describe the first example of a structurally characterized anionic hydride complex. This complex does not display typical reactivity associated with low-nuclearity hydrides, such as alcoholysis or insertion reactions. Instead, its stoichiometric catalytic is akin to that clusters. The distinct a...

Our studies comprise two classes of materials: metal hydrides and complex hydrides. Metal hydrides can store large amounts of hydrogen, but due to the high atomic mass of the host element(s) the weight-percent efficiency is typically low. We are focusing on materials in which the atomic mass of the metal is low, such as MgH2 and AlH3. Comprehensive studies of point defects and migration enable ...

The recent advances on the effects of microstructural refinement and various nano-catalytic additives on the hydrogen storage properties of metal and complex hydrides obtained in the last few years in the allied laboratories at the University of Waterloo (Canada) and Military University of Technology (Warsaw, Poland) are critically reviewed in this paper. The research results indicate that micr...

Introduction Light metal hydrides are candidates for compact and efficient reversible on-board hydrogen storage. However, at the moment no known material fulfills all requirements regarding hydrogen content, release temperature, and reversibility simultaneously. Binary light metal hydrides generally are thermodynamically too stable, while in addition boronhydrides, alanates and other complex sy...

A systematic approach to study the phase stability of LiBH4 based on ab initio calculations is presented. Three thermodynamically stable phases are identified and a new phase of Cc symmetry is proposed for the first time for a complex hydride. The x-ray diffraction pattern and vibrational spectra of the Cc structure agree well with recently reported experimental data on LiBH4. Calculations of t...