Isotope effect on structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) with hydrogenation

Sung Wook Cho, Hirotoshi Enoki, Toshiki Kabutomori, Choong Nyeon Park, Etsuo Akiba

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Abstract

We have investigated the structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) upon hydrogenation at 293 K and discussed the effect of hydrogen isotope on their crystal structures. The various hydride samples used for X-ray diffraction (XRD) investigation were obtained after measurement of the P-C isotherms by taking them out of the reactor. The crystal structures, phase abundance and lattice parameters of the hydrides were determined by the Rietveld method using XRD data. Because the hydrides of the alloy Ti1.0Mn0.9V1.1 revealed complex peak profiles, we double-checked the structures through transmission electron microscope (TEM) investigations. The results of the TEM observation agreed well with those of XRD data. The crystal structures of corresponding isotope hydrides, the phase abundance and the lattice parameters do not depend on the kind of hydrogen isotope, but only on the hydrogen content. That is, if the corresponding isotope hydrides have the same hydrogen contents, they have also the same crystal structures, although they show a large difference between the equilibrium pressures in their P-C isotherms. At the experimental temperature, the Ti1.0Mn0.9V1.1 alloy and Ti1.0Cr1.5V1.7 alloy revealed different structural transition processes upon hydrogenation although the crystal structures of these two alloys are both body centered cubic (BCC). The structural transitions of the alloys Ti1.0Mn0.9V1.1 and Ti1.0Cr1.5V1.7 can be summarized by BCC (a=3.0183(1) Å)→body centered tetragonal (BCT) (a=2.874(3) Å, c=3.89(1) Å)→face centered cubic (FCC) (a=4.311(8) Å) in alloy Ti1.0Mn0.9V1.1 and BCC (a=3.0212(9) Å)→FCC (a=4.261(4) Å) in alloy Ti1.0Cr1.5V1.7. The Ti-rich phases with NiTi2 structure and α-Ti with hexagonal close packed (HCP) structure absorbed hydrogen at relatively low hydrogen pressures and the phase abundance remained almost constant. From this fact, it can be deduced that it is desirable to decrease their amount as far as possible in order to increase the effective hydrogen storage capacities of the alloys.

Original languageEnglish
Pages (from-to)196-203
Number of pages8
JournalJournal of Alloys and Compounds
Volume319
Issue number1-2
DOIs
Publication statusPublished - Apr 26 2001

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Isotopes
Hydrogenation
Hydrogen
Hydrides
Crystal structure
X ray diffraction
Lattice constants
Isotherms
Electron microscopes
Rietveld method
Hydrogen storage

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

Isotope effect on structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) with hydrogenation. / Cho, Sung Wook; Enoki, Hirotoshi; Kabutomori, Toshiki; Park, Choong Nyeon; Akiba, Etsuo.

In: Journal of Alloys and Compounds, Vol. 319, No. 1-2, 26.04.2001, p. 196-203.

Research output: Contribution to journalArticle

Cho, Sung Wook ; Enoki, Hirotoshi ; Kabutomori, Toshiki ; Park, Choong Nyeon ; Akiba, Etsuo. / Isotope effect on structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) with hydrogenation. In: Journal of Alloys and Compounds. 2001 ; Vol. 319, No. 1-2. pp. 196-203.
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abstract = "We have investigated the structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) upon hydrogenation at 293 K and discussed the effect of hydrogen isotope on their crystal structures. The various hydride samples used for X-ray diffraction (XRD) investigation were obtained after measurement of the P-C isotherms by taking them out of the reactor. The crystal structures, phase abundance and lattice parameters of the hydrides were determined by the Rietveld method using XRD data. Because the hydrides of the alloy Ti1.0Mn0.9V1.1 revealed complex peak profiles, we double-checked the structures through transmission electron microscope (TEM) investigations. The results of the TEM observation agreed well with those of XRD data. The crystal structures of corresponding isotope hydrides, the phase abundance and the lattice parameters do not depend on the kind of hydrogen isotope, but only on the hydrogen content. That is, if the corresponding isotope hydrides have the same hydrogen contents, they have also the same crystal structures, although they show a large difference between the equilibrium pressures in their P-C isotherms. At the experimental temperature, the Ti1.0Mn0.9V1.1 alloy and Ti1.0Cr1.5V1.7 alloy revealed different structural transition processes upon hydrogenation although the crystal structures of these two alloys are both body centered cubic (BCC). The structural transitions of the alloys Ti1.0Mn0.9V1.1 and Ti1.0Cr1.5V1.7 can be summarized by BCC (a=3.0183(1) {\AA})→body centered tetragonal (BCT) (a=2.874(3) {\AA}, c=3.89(1) {\AA})→face centered cubic (FCC) (a=4.311(8) {\AA}) in alloy Ti1.0Mn0.9V1.1 and BCC (a=3.0212(9) {\AA})→FCC (a=4.261(4) {\AA}) in alloy Ti1.0Cr1.5V1.7. The Ti-rich phases with NiTi2 structure and α-Ti with hexagonal close packed (HCP) structure absorbed hydrogen at relatively low hydrogen pressures and the phase abundance remained almost constant. From this fact, it can be deduced that it is desirable to decrease their amount as far as possible in order to increase the effective hydrogen storage capacities of the alloys.",
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AU - Cho, Sung Wook

AU - Enoki, Hirotoshi

AU - Kabutomori, Toshiki

AU - Park, Choong Nyeon

AU - Akiba, Etsuo

PY - 2001/4/26

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N2 - We have investigated the structural transitions of Ti1.0Mn0.9V1.1HX(DX) and Ti1.0Cr1.5V1.7HX(DX) upon hydrogenation at 293 K and discussed the effect of hydrogen isotope on their crystal structures. The various hydride samples used for X-ray diffraction (XRD) investigation were obtained after measurement of the P-C isotherms by taking them out of the reactor. The crystal structures, phase abundance and lattice parameters of the hydrides were determined by the Rietveld method using XRD data. Because the hydrides of the alloy Ti1.0Mn0.9V1.1 revealed complex peak profiles, we double-checked the structures through transmission electron microscope (TEM) investigations. The results of the TEM observation agreed well with those of XRD data. The crystal structures of corresponding isotope hydrides, the phase abundance and the lattice parameters do not depend on the kind of hydrogen isotope, but only on the hydrogen content. That is, if the corresponding isotope hydrides have the same hydrogen contents, they have also the same crystal structures, although they show a large difference between the equilibrium pressures in their P-C isotherms. At the experimental temperature, the Ti1.0Mn0.9V1.1 alloy and Ti1.0Cr1.5V1.7 alloy revealed different structural transition processes upon hydrogenation although the crystal structures of these two alloys are both body centered cubic (BCC). The structural transitions of the alloys Ti1.0Mn0.9V1.1 and Ti1.0Cr1.5V1.7 can be summarized by BCC (a=3.0183(1) Å)→body centered tetragonal (BCT) (a=2.874(3) Å, c=3.89(1) Å)→face centered cubic (FCC) (a=4.311(8) Å) in alloy Ti1.0Mn0.9V1.1 and BCC (a=3.0212(9) Å)→FCC (a=4.261(4) Å) in alloy Ti1.0Cr1.5V1.7. The Ti-rich phases with NiTi2 structure and α-Ti with hexagonal close packed (HCP) structure absorbed hydrogen at relatively low hydrogen pressures and the phase abundance remained almost constant. From this fact, it can be deduced that it is desirable to decrease their amount as far as possible in order to increase the effective hydrogen storage capacities of the alloys.

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