TY - GEN
T1 - Novel combinations of high density hydrogen storage materials
AU - Wolverton, Christopher
AU - Sudik, Andrea
AU - Yang, Jun
AU - Siegel, Don
PY - 2007
Y1 - 2007
N2 - Practical hydrogen storage for mobile applications requires materials that contain large amounts of hydrogen, have low decomposition temperatures, and fast kinetics for absorption and desorption. Mixtures of two high-density hydrides such as LiBH4/MgH2, LiNH2/LiBH4, and LiNH2/MgH2 have recently emerged as an approach toward improved thermodynamic properties relative to their individual component reactions. However, in practice, appropriate thermodynamics is not enough to guarantee that hydrogen will evolve at the expected temperature and at a suitable purity and rate. We present a combined experimental/computational approach for a new, ternary combination of high density hydrogen storage materials, LiBH4/LiNH2/MgH2. Experimental data for these materials include kinetic desorption, powder X-ray, FT-IR, and MS and computational results are based on density functional theory calculations. We demonstrate reactions with improved hydrogen storage properties in terms of reversibility, kinetics, and hydrogen purity, while preserving high hydrogen density and favorable thermodynamics.
AB - Practical hydrogen storage for mobile applications requires materials that contain large amounts of hydrogen, have low decomposition temperatures, and fast kinetics for absorption and desorption. Mixtures of two high-density hydrides such as LiBH4/MgH2, LiNH2/LiBH4, and LiNH2/MgH2 have recently emerged as an approach toward improved thermodynamic properties relative to their individual component reactions. However, in practice, appropriate thermodynamics is not enough to guarantee that hydrogen will evolve at the expected temperature and at a suitable purity and rate. We present a combined experimental/computational approach for a new, ternary combination of high density hydrogen storage materials, LiBH4/LiNH2/MgH2. Experimental data for these materials include kinetic desorption, powder X-ray, FT-IR, and MS and computational results are based on density functional theory calculations. We demonstrate reactions with improved hydrogen storage properties in terms of reversibility, kinetics, and hydrogen purity, while preserving high hydrogen density and favorable thermodynamics.
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M3 - Conference contribution
AN - SCOPUS:37349110344
SN - 084127438X
SN - 9780841274389
T3 - ACS National Meeting Book of Abstracts
BT - 233rd ACS National Meeting, Abstracts of Scientific Papers
T2 - 233rd ACS National Meeting
Y2 - 25 March 2007 through 29 March 2007
ER -