In: Zeitschrift für Physikalische Chemie, 2010, vol. 224, no. 1-2, p. 263-278
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In: Physical Review B: condensed matter and materials physics, 2011, vol. 83, no. 6, p. 064107
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In: The Journal of Physical Chemistry C, 2009, vol. 113, no. 39, p. 17223–17230
We have solved and refined the crystal structure of the orthorhombic γ-phase of Ca(BD₄)₂ by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same quality of the fit of the diffraction data, the structural model with the highest symmetry and space group Pbca is the...
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In: Physical Review B, 2008, vol. 78, no. 09, p. 094302
We report on neutron powder-diffraction experiments, inelastic incoherent neutron-scattering experiments, and density-functional calculations on dynamics, order and disorder properties of LiBH4 and LiBD4. From refinement of LiBD4 structure at 10 and 302 K, we found an almost ideal tetrahedral geometry of BD4 ions (difference between shortest and longest interatomic distances is less than 4% for...
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In: Journal of Alloys and Compounds, 2008, vol. 259, no. 1-2, p. 583-588
Among the large variety of possible complex hydrides only few exhibit a large gravimetric hydrogen density and stability around 40 kJ mol⁻¹H₂. Mg[BH₄]₂ is based on theoretical approaches a complex hydride with an equilibrium hydrogen pressure of approximately 1 bar at room temperature and a hydrogen content of 14.9 mass%. The reaction of Li[BH₄] with MgCl₂ at elevated temperatures...
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In: Renewable Energy, 2008, vol. 33, no. 2, p. 193-196
Magnesium borohydride (Mg(BH₄)₂) is a promising material for hydrogen storage because of its high gravimetric storage density (15.0 mass%). We intended to synthesize Mg(BH₄)₂ by decomposition reaction of LiBH₄ with MgCl₂ by heat treatment without using a solvent, where the product consists of LiCl and a compound of magnesium, boron and hydrogen. Hydrogen desorption temperature of the...
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