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Experimental and theoretical studies of metal-hydrogen interactions in solid-state metal hydrides

English title Experimental and theoretical studies of metal-hydrogen interactions in solid-state metal hydrides
Applicant Yvon Klaus
Number 107727
Funding scheme Project funding (Div. I-III)
Research institution Laboratoire de Cristallographie Université de Genève
Institution of higher education University of Geneva - GE
Main discipline Condensed Matter Physics
Start/End 01.04.2005 - 31.03.2007
Approved amount 227'055.00
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Keywords (11)

hydrogen storage; metal hydrides; metal-hydrogen interactions; magnetism; metal-insulator transitions; neutron powder diffraction; hydrogen; metal-insultator transition; magnetic order; enthalpy of formation; bonding

Lay Summary (English)

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Lay summary
Solid state metal hydrides provide the most compact and safe way of storing hydrogen. The project aimed at a better understanding of the metal-hydrogen interactions in such hydrides. It focused on metallic, covalent and ionic hydrides for which electric resistance, enthalpy of hydride formation and magnetism were measured and correlated with structural properties such as metal-hydrogen complex formation, hydrogen site occupancy, directional metal-hydrogen bonding and atom relaxations around hydrogen defects. The most significant results obtained were the discovery of
- metal-insulator transitions in the systems LaMg2Pd-H and La2MgNi2-H, which are of interest for applicants as hydrogen detectors or optical mirrors,
- directional metal-hydrogen bond formation in the “interstitial” hydrides ErNi3Hx, HoNi3Hx, ErCo3Hx and Ce2Ni7Hx,
- correlations between H site occupancies and enthalpy of hydride formation in ZrTi2H~4, Zr2CuH4.7 and Ce2Ni7Hx,
- the destabilizing influence of boron in the systems LaNi3B-H, LaNi4B-H and LaCo4B-H,
- new light-weight complex p-metal hydrides Li4BN3H10 and Mg(BH4)2,
- new ionic hydrides that order magnetically, such as SmMg2H7,
- atom relaxations in the vicinity of H-defects in LaH3-x.
Taken together, the results contribute in finding new hydrogen storage materials and improving the hydrogen sorption properties of known materials.
Direct link to Lay Summary Last update: 21.02.2013

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Associated projects

Number Title Start Funding scheme
116086 New hydrogen storage materials at the border between the metallic and insulating state 01.04.2007 Project funding (Div. I-III)
100166 Structural studies of metal-hydrogen interactions in solid state metal hydrides 01.04.2003 Project funding (Div. I-III)

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