Hydrogen-Mediated Metal Transport in Complex Metal Hydrides

Since this discovery, a number of studies have looked at improving the catalytic effects and understanding the role of additives in H2 cycling. However, the mechanism by which NaAlH4 is activated in the presence of a small amount of a transition metal is still not well understood. One of the principle questions is “How do the Al atoms migrate the long distances required during the hydrogenation reaction?” In this study we investigate the atomistic transport mechanisms of the reversible complex metal hydrides using x-ray absorption spectroscopy and first-principles calculations.