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Reversible Hydrogen Storage Materials-Structure, Chemistry, and Electronic Structure.

DE141134549

Publication Date	2013
Personal Author	Robertson, I. M.; Johnson, D. D.; Randolph, K. L.
Page Count	27
Abstract	To understand the processes involved in the uptake and release of hydrogen from candidate light-weight metal hydride storage systems, a combination of materials characterization techniques and first principle calculation methods have been employed. In addition to conventional microstructural characterization in the transmission electron microscope, which provides projected information about the through thickness microstructure, electron tomography methods were employed to determine the three-dimensional spatial distribution of catalyst species for select systems both before and after dehydrogenation. Catalyst species identification as well as compositional analysis of the storage material before and after hydrogen charging and discharging was performed using a combination of energy dispersive spectroscopy, EDS, and electron energy loss spectroscopy, EELS. The characterization effort was coupled with first-principles, electronic-structure and thermodynamic techniques to predict and assess meta-stable and stable phases, reaction pathways, and thermodynamic and kinetic barriers. Systems studied included:NaAlH4, CaH2/CaB6 and Ca(BH4)2, MgH2/MgB2, Ni-Catalyzed Magnesium Hydride, TiH2-Catalyzed Magnesium Hydride, LiBH4, Aluminum-based systems and Aluminum.
Keywords	Hydrogen storage Catalysts Electronic structure Hydrides Kinetics Materials Microstructure Spatial distribution Spectroscopy Thermodynamic properties Tomography
Source Agency	Technical Information Center Oak Ridge Tennessee
NTIS Subject Category	97K - Fuels 99F - Physical & Theoretical Chemistry
Corporate Authors	Illinois Univ. at Urbana-Champaign. Dept. of Materials Science and Engineering.; Department of Energy, Washington, DC.
Supplemental Notes	Sponsored by Department of Energy, Washington, DC.
Document Type	Technical Report
NTIS Issue Number	201425
Contract Number	DE-FC36-05GO15064

Reversible Hydrogen Storage Materials-Structure, Chemistry, and Electronic Structure.

Reversible Hydrogen Storage Materials-Structure, Chemistry, and Electronic Structure.
DE141134549

Publication Date	2013
Personal Author	Robertson, I. M.; Johnson, D. D.; Randolph, K. L.
Page Count	27
Abstract	To understand the processes involved in the uptake and release of hydrogen from candidate light-weight metal hydride storage systems, a combination of materials characterization techniques and first principle calculation methods have been employed. In addition to conventional microstructural characterization in the transmission electron microscope, which provides projected information about the through thickness microstructure, electron tomography methods were employed to determine the three-dimensional spatial distribution of catalyst species for select systems both before and after dehydrogenation. Catalyst species identification as well as compositional analysis of the storage material before and after hydrogen charging and discharging was performed using a combination of energy dispersive spectroscopy, EDS, and electron energy loss spectroscopy, EELS. The characterization effort was coupled with first-principles, electronic-structure and thermodynamic techniques to predict and assess meta-stable and stable phases, reaction pathways, and thermodynamic and kinetic barriers. Systems studied included:NaAlH4, CaH2/CaB6 and Ca(BH4)2, MgH2/MgB2, Ni-Catalyzed Magnesium Hydride, TiH2-Catalyzed Magnesium Hydride, LiBH4, Aluminum-based systems and Aluminum.
Keywords	Hydrogen storage Catalysts Electronic structure Hydrides Kinetics Materials Microstructure Spatial distribution Spectroscopy Thermodynamic properties Tomography
Source Agency	Technical Information Center Oak Ridge Tennessee
NTIS Subject Category	97K - Fuels 99F - Physical & Theoretical Chemistry
Corporate Authors	Illinois Univ. at Urbana-Champaign. Dept. of Materials Science and Engineering.; Department of Energy, Washington, DC.
Supplemental Notes	Sponsored by Department of Energy, Washington, DC.
Document Type	Technical Report
NTIS Issue Number	201425
Contract Number	DE-FC36-05GO15064