Understanding composition–property relationships in Ti–Cr–V–Mo alloys for optimisation of hydrogen storage in pressurised tanks

Callear, Samantha K.; Ramirez‐Cuesta, Anibal J.; Kamazawa, Kazuya; Towata, Shin‐ichi; Noritake, Tatsuo; Parker, Stewart F.; Jones, Martin O.; Sugiyama, Jun; Ishikiriyama, Mamoru; David, William I. F.

doi:10.1039/c4cp01666a

Cited by 11 publications

(15 citation statements)

References 50 publications

(62 reference statements)

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“…This argument is not valid for elements in the beginning of the period. Structures similar to the low-energy peak have been found in AB2 alloys containing vanadium (30) and in pure vanadium (26). In vanadium, interstitials with distances varying between 1.05Å and 7.73Å exist (12), but only the ones with minimum distances of 2.2Å are observed by X-ray diffraction in V2H (31).…”

Section: Discussionsupporting

confidence: 64%

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Borgschulte

Terreni

Billeter

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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Hydrogen-containing materials are of fundamental as well as technological interest. An outstanding question for both is the amount of hydrogen that can be incorporated in such materials, because that determines dramatically their physical properties such as electronic and crystalline structure. The number of hydrogen atoms in a metal is controlled by the interaction of hydrogens with the metal and by the hydrogen–hydrogen interactions. It is well established that the minimal possible hydrogen–hydrogen distances in conventional metal hydrides are around 2.1 Å under ambient conditions, although closer H–H distances are possible for materials under high pressure. We present inelastic neutron scattering measurements on hydrogen in ZrV2Hx showing nonexpected scattering at low-energy transfer. The analysis of the spectra reveals that these spectral features in part originate from hydrogen vibrations confined by neighboring hydrogen at distances as short as 1.6 Å. These distances are much smaller than those found in related hydrides, thereby violating the so-called Switendick criterion. The results have implications for the design and creation of hydrides with additional properties and applications.

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Section: Discussionsupporting

confidence: 64%

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Borgschulte

Terreni

Billeter

et al. 2020

Proc. Natl. Acad. Sci. U.S.A.

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“…Although it was difficult to clearly divide the peak wavenumber regions into out-of-plane and in-plane, the out-of-plane peaks appeared at lower wavenumbers than the in-plane peaks. Such deformation ) and H 0 in vanadium-based alloys (mainly 1120−1270 cm −1 ), 36 that of the H tet vibrations were between those of H − and H 0 (see Figure 3). Thus, the valence for H tet might also lie between H − and H 0 , such as for H in the Ce−Ni−H system.…”

Section: ■ Results and Discussionmentioning

confidence: 90%

“…The H tet contributions in LaMg 2 NiH 4.6 dominated at 670–1182 cm –1 . Compared with the wavenumber ranges of H – in LaMg 2 NiH 7 (367–1312 cm –1 ) and H 0 in vanadium-based alloys (mainly 1120–1270 cm –1 ), that of the H tet vibrations were between those of H – and H 0 (see Figure ). Thus, the valence for H tet might also lie between H – and H 0 , such as for H in the Ce–Ni–H system .…”

Section: Resultsmentioning

confidence: 92%

Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride

et al. 2017

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A complex hydride (LaMgNiH) composed of La, two Mg, [NiH] with a covalently bonded hydrogen, and three H was formed from an intermetallic LaMgNi via an intermediate phase (LaMgNiH) composed of La, Mg, NiH, NiH units, and H atoms at tetrahedral sites. The NiH and NiH units in LaMgNiH were reported as precursors for [NiH] in LaMgNiH [ Miwa et al. J. Phys. Chem. C 2016 , 120 , 5926 - 5931 ]. To further understand the hydrogen states in the precursors (the NiH and NiH units) and H atoms at the tetrahedral sites in the intermediate phase, LaMgNiH, we observed the hydrogen vibrations in LaMgNiH and LaMgNiH by using inelastic neutron scattering. A comparison of the hydrogen vibrations of the NiH and NiH units with that of [NiH] shows that the librational modes of the NiH and NiH units were nonexistent; librational modes are characteristic modes for complex anions, such as [NiH]. Furthermore, the hydrogen vibrations for the H atoms in the tetrahedral sites showed a narrower wavenumber range than that for H and a wider range than that for typical interstitial hydrogen. The results indicated the presence of intermediate hydrogen states before the formation of [NiH] and H.

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“…Notably, the hydrogen vibration is hardly observed by Raman and infrared spectroscopies but can be detected by INS. 33−37 In contrast, few INS studies in hydrogen pressure studies for hydrogen storage materials 35 have been reported to the best of my knowledge.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Inelastic neutron scattering (INS) is probably the best available vibrational spectroscopic method because of the large neutron scattering cross-section of hydrogen − and the metallic nature of the α-, β-, and γ-phase hydrides. Notably, the hydrogen vibration is hardly observed by Raman and infrared spectroscopies but can be detected by INS. − In contrast, few INS studies in hydrogen pressure studies for hydrogen storage materials have been reported to the best of my knowledge.…”

Section: Introductionmentioning

confidence: 99%

Effect of Co-Substitution on Hydrogen Absorption and Desorption Reactions of YMgNi₄-Based Alloys

et al. 2022

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YMgNi 4 -based alloys exhibit reversible hydrogen absorption and desorption reactions at near room temperature. Here, we report that Co-substituted YMgNi 4 -based alloys exhibited higher hydrogen contents and lower hydrogen absorption and desorption reaction pressures than unsubstituted alloys. The effects of Co-substitution viewed from atomic arrangements were particularly clarified by synchrotron radiation powder X-ray diffraction, neutron diffraction, and inelastic neutron scattering. Powder neutron diffraction of the Co-substituted alloy at 5 MPa of D 2 pressure suggested the formation of γ-phase deuteride (higher deuterium content) from β-phase deuteride (lower deuterium content). However, no γ-phase deuteride was observed in the unsubstituted alloys at 5 MPa. Therefore, the γ-phase deuteride formation of the Co-substituted alloy at lower pressure led to higher hydrogen contents than the unsubstituted alloys. The combined results of powder neutron diffraction and inelastic neutron scattering suggested that the γ-phase hydride of the Co-substituted alloy was continuously generated due to additional H atoms at the H atom sites in the β-phase hydride because of the disordered H atomic arrangement involving H−H interactions. As a result, hydrogen absorption and desorption reaction pressures for the γ-phase deuteride formation with higher hydrogen storage capacity were lowered.

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Understanding composition–property relationships in Ti–Cr–V–Mo alloys for optimisation of hydrogen storage in pressurised tanks

Cited by 11 publications

References 50 publications

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride

Effect of Co-Substitution on Hydrogen Absorption and Desorption Reactions of YMgNi₄-Based Alloys

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Understanding composition–property relationships in Ti–Cr–V–Mo alloys for optimisation of hydrogen storage in pressurised tanks

Cited by 11 publications

References 50 publications

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Evidence of Intermediate Hydrogen States in the Formation of a Complex Hydride

Effect of Co-Substitution on Hydrogen Absorption and Desorption Reactions of YMgNi4-Based Alloys

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Effect of Co-Substitution on Hydrogen Absorption and Desorption Reactions of YMgNi₄-Based Alloys