Distribution of hydrogen in metal hydrides studied by in situ powder neutron diffraction

Yumiko Nakamura, Jin Nakamura, Kenji Iwase, Etsuo Akiba

Research output: Contribution to journalArticle

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Abstract

Interstitial metal hydrides were studied by in situ powder neutron diffraction for their use in hydrogen storage. The main focus was the distribution of hydrogen atoms in the materials. In full hydrides of LaNi5-xAlx, hydrogen occupation depended strongly on the amount of Al. The symmetry varied from P63mc (x=0) to P6mm (x=0.1) and P6/mmm (x≥0.25) with change in occupancy of each site. Variation in hydrogen occupation during absorption and desorption was analyzed for LaNi4.78Sn0.22. Redistribution between three tetrahedral sites was observed during desorption. La5Ni19-based hydrides with a structure consisting of stacking La2Ni4 and LaNi5 cells were also studied. Rietveld refinement of La4MgNi19D∼24 showed that hydrogen distributed almost evenly in LaMgNi4 and LaNi5 cells (0.8-1.0 H/M), which was consistent with the uniform lattice expansion of those cells. This result indicated that substitution of Mg for La changed the preferred sites for hydrogen occupation in the La2Ni4 and LaNi5 cells.

Original languageEnglish
Pages (from-to)297-300
Number of pages4
JournalNuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
Volume600
Issue number1
DOIs
Publication statusPublished - Feb 21 2009

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Neutron powder diffraction
metal hydrides
Hydrides
neutron diffraction
Hydrogen
occupation
hydrogen
Metals
cells
hydrides
Desorption
desorption
Rietveld refinement
Hydrogen storage
hydrogen atoms
interstitials
Substitution reactions
substitutes
Atoms
expansion

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Instrumentation

Cite this

Distribution of hydrogen in metal hydrides studied by in situ powder neutron diffraction. / Nakamura, Yumiko; Nakamura, Jin; Iwase, Kenji; Akiba, Etsuo.

In: Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 600, No. 1, 21.02.2009, p. 297-300.

Research output: Contribution to journalArticle

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N2 - Interstitial metal hydrides were studied by in situ powder neutron diffraction for their use in hydrogen storage. The main focus was the distribution of hydrogen atoms in the materials. In full hydrides of LaNi5-xAlx, hydrogen occupation depended strongly on the amount of Al. The symmetry varied from P63mc (x=0) to P6mm (x=0.1) and P6/mmm (x≥0.25) with change in occupancy of each site. Variation in hydrogen occupation during absorption and desorption was analyzed for LaNi4.78Sn0.22. Redistribution between three tetrahedral sites was observed during desorption. La5Ni19-based hydrides with a structure consisting of stacking La2Ni4 and LaNi5 cells were also studied. Rietveld refinement of La4MgNi19D∼24 showed that hydrogen distributed almost evenly in LaMgNi4 and LaNi5 cells (0.8-1.0 H/M), which was consistent with the uniform lattice expansion of those cells. This result indicated that substitution of Mg for La changed the preferred sites for hydrogen occupation in the La2Ni4 and LaNi5 cells.

AB - Interstitial metal hydrides were studied by in situ powder neutron diffraction for their use in hydrogen storage. The main focus was the distribution of hydrogen atoms in the materials. In full hydrides of LaNi5-xAlx, hydrogen occupation depended strongly on the amount of Al. The symmetry varied from P63mc (x=0) to P6mm (x=0.1) and P6/mmm (x≥0.25) with change in occupancy of each site. Variation in hydrogen occupation during absorption and desorption was analyzed for LaNi4.78Sn0.22. Redistribution between three tetrahedral sites was observed during desorption. La5Ni19-based hydrides with a structure consisting of stacking La2Ni4 and LaNi5 cells were also studied. Rietveld refinement of La4MgNi19D∼24 showed that hydrogen distributed almost evenly in LaMgNi4 and LaNi5 cells (0.8-1.0 H/M), which was consistent with the uniform lattice expansion of those cells. This result indicated that substitution of Mg for La changed the preferred sites for hydrogen occupation in the La2Ni4 and LaNi5 cells.

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