The interaction of ammonia-borane (NH3BH3) and alkali and alkali-earth metals are studied for hydrogen-storage applications. We demonstrate that, compared to isolated samples of these materials, the dehydrogenation thermodynamics and kinetics are improved. In particular, simulation demonstrates that light metal amidoboranes (LiNH2BH3) have a lower temperature for hydrogen release than ammonia-borane, while combined experimental and theoretical studies demonstrate that a mixture of magnesium hydride (MgH2) and NH3BH3 have a lower temperature and faster kinetics for hydrogen release.Furthermore we demonstrate via ab initio simulation that Ca-doping of carbon nanosystems have large CO2 uptake capacities, in the range of 0.4 to 0.6 g CO2/g sorbent, with a strong selectivity for CO2- over N2. Formation of CaO material further enhances CO2 binding via formation of CaCO3.The LiNH2BH3 results have already been presented elsewhere, as have the Ca-doped carbon nanosystem results.

Combined experimental and theoretical studies on prospective hydrogen storage and carbon dioxide capture materials

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.