In situ x-ray diffraction study of phase transformation of Mg 2-xPr xNi 4 during hydrogenation and dehydrogenation (x = 0.6 and 1.0)

K. Sakaki; N. Terashita; S. Tsunokake; Y. Nakamura; E. Akiba

doi:10.1021/jp206446c

In situ x-ray diffraction study of phase transformation of Mg _2-xPr _xNi ₄ during hydrogenation and dehydrogenation (x = 0.6 and 1.0)

K. Sakaki, N. Terashita, S. Tsunokake, Y. Nakamura, E. Akiba

Hydrogen Utilization Engineering

Research output: Contribution to journal › Article › peer-review

22 Citations (Scopus)

Abstract

The phase transformations of Mg _1.4Pr _0.6Ni ₄ and Mg _1.0Pr _1.0Ni ₄ during hydrogenation and dehydrogenation were investigated using in situ X-ray diffraction (XRD). Both alloys showed the cubic MgCu ₄Sn type structure with space group F4̄3m before hydrogenation. The hydride β-Mg _1.4Pr _0.6Ni ₄H _∼3.6 had the same crystal structure as the starting alloy, and its lattice was expanded by 4.3% by hydrogenation. Mg _1.0Pr _1.0Ni ₄ was initially transformed to an orthorhombic β-Mg _1.0Pr _1.0Ni ₄H _∼4 with space group Pmn2 ₁. By further hydrogenation, the orthorhombic hydride changed to β-Mg _1.0Pr _1.0Ni ₄H _∼6 with a cubic structure with space group F4̄3m. The lattice constant of β-Mg _1.0Pr _1.0Ni ₄H _∼6 was 7.6% larger than that of the starting alloy. Through dehydrogenation, all hydride phases returned to the alloy phase without any amorphization or disproportionation.

Original language	English
Pages (from-to)	1401-1407
Number of pages	7
Journal	Journal of Physical Chemistry C
Volume	116
Issue number	1
DOIs	https://doi.org/10.1021/jp206446c
Publication status	Published - Jan 12 2012

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Energy(all)
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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10.1021/jp206446c

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title = "In situ x-ray diffraction study of phase transformation of Mg 2-xPr xNi 4 during hydrogenation and dehydrogenation (x = 0.6 and 1.0)",

abstract = "The phase transformations of Mg 1.4Pr 0.6Ni 4 and Mg 1.0Pr 1.0Ni 4 during hydrogenation and dehydrogenation were investigated using in situ X-ray diffraction (XRD). Both alloys showed the cubic MgCu 4Sn type structure with space group F{\=4}3m before hydrogenation. The hydride β-Mg 1.4Pr 0.6Ni 4H ∼3.6 had the same crystal structure as the starting alloy, and its lattice was expanded by 4.3% by hydrogenation. Mg 1.0Pr 1.0Ni 4 was initially transformed to an orthorhombic β-Mg 1.0Pr 1.0Ni 4H ∼4 with space group Pmn2 1. By further hydrogenation, the orthorhombic hydride changed to β-Mg 1.0Pr 1.0Ni 4H ∼6 with a cubic structure with space group F{\=4}3m. The lattice constant of β-Mg 1.0Pr 1.0Ni 4H ∼6 was 7.6% larger than that of the starting alloy. Through dehydrogenation, all hydride phases returned to the alloy phase without any amorphization or disproportionation.",

author = "K. Sakaki and N. Terashita and S. Tsunokake and Y. Nakamura and E. Akiba",

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AU - Sakaki, K.

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AU - Tsunokake, S.

AU - Nakamura, Y.

AU - Akiba, E.

PY - 2012/1/12

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N2 - The phase transformations of Mg 1.4Pr 0.6Ni 4 and Mg 1.0Pr 1.0Ni 4 during hydrogenation and dehydrogenation were investigated using in situ X-ray diffraction (XRD). Both alloys showed the cubic MgCu 4Sn type structure with space group F4̄3m before hydrogenation. The hydride β-Mg 1.4Pr 0.6Ni 4H ∼3.6 had the same crystal structure as the starting alloy, and its lattice was expanded by 4.3% by hydrogenation. Mg 1.0Pr 1.0Ni 4 was initially transformed to an orthorhombic β-Mg 1.0Pr 1.0Ni 4H ∼4 with space group Pmn2 1. By further hydrogenation, the orthorhombic hydride changed to β-Mg 1.0Pr 1.0Ni 4H ∼6 with a cubic structure with space group F4̄3m. The lattice constant of β-Mg 1.0Pr 1.0Ni 4H ∼6 was 7.6% larger than that of the starting alloy. Through dehydrogenation, all hydride phases returned to the alloy phase without any amorphization or disproportionation.

AB - The phase transformations of Mg 1.4Pr 0.6Ni 4 and Mg 1.0Pr 1.0Ni 4 during hydrogenation and dehydrogenation were investigated using in situ X-ray diffraction (XRD). Both alloys showed the cubic MgCu 4Sn type structure with space group F4̄3m before hydrogenation. The hydride β-Mg 1.4Pr 0.6Ni 4H ∼3.6 had the same crystal structure as the starting alloy, and its lattice was expanded by 4.3% by hydrogenation. Mg 1.0Pr 1.0Ni 4 was initially transformed to an orthorhombic β-Mg 1.0Pr 1.0Ni 4H ∼4 with space group Pmn2 1. By further hydrogenation, the orthorhombic hydride changed to β-Mg 1.0Pr 1.0Ni 4H ∼6 with a cubic structure with space group F4̄3m. The lattice constant of β-Mg 1.0Pr 1.0Ni 4H ∼6 was 7.6% larger than that of the starting alloy. Through dehydrogenation, all hydride phases returned to the alloy phase without any amorphization or disproportionation.

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In situ x-ray diffraction study of phase transformation of Mg _2-xPr _xNi ₄ during hydrogenation and dehydrogenation (x = 0.6 and 1.0)

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