Experimental and computational study on the C15 phase structure stability of Y Ni2-Mn  system

Shen, Hao; Setayandeh, Samaneh Sadat; Paul‐Boncour, V.; Eméry, N.; Li, Z.; Li, P.; Yuan, Huiping; Jiang, Lijun; Burr, Patrick A.; Latroche, M.; Zhang, J.

doi:10.1016/j.jallcom.2023.169632

Cited by 1 publication

(8 citation statements)

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“…Another feature of Figure 3 is a partially recovered intermetallic phase for Mn0.1; we can conclude that Mn0.1 shows a better structural stability upon hydrogenation than Mn0, Mn0.2, and Mn0.3 compounds. As shown in a previous work [30], in the Mn0.1 compound, the Mn atoms are substituted only in the Ni site, whereas the vacancies are in the Y site. For compounds with a larger Mn content (Mn0.2 and Mn0.3), the Mn atoms occupy both the Y site and the Ni site, and the number of vacancies in the Y site is reduced [30].…”

Section: Hydrogenation Propertiessupporting

confidence: 54%

“…Meanwhile, single-phas pounds with a C15 structure can be obtained by adjusting both the Y and Mn c (Y0.90Ni1.7Mn0.3 → Y0.825Ni1.7Mn0.3, e.g.). With the Mn content increasing from 0 to 0. cancy formation was only observed in Y0.95Ni2 and Y0.90Ni1.9Mn0.1 compounds, w Y0.86Ni1.8Mn0.2 and Y0.825Ni1.7Mn0.3 showed Mn occupations in both the Y and Ni site out vacancy formation [30].…”

Section: Mn Substitution Effects On Phase Occurrence and Structuresmentioning

confidence: 94%

“…Due to Y vacancy formation or bilateral distribution of Mn atoms, the PCIs of Y Y0.86Ni1.8Mn0.2, and Y0.825Ni1.7Mn0.3 compounds show a similar behavior but are d from that of Y0.90Ni1.9Mn0.1 [30]. After a short plateau at low pressure, Mn0.1 s sloped branch, whereas the other three compounds show a second plateau (Figu The change of equilibrium pressures of the first plateau is small for all hydrides u H/f.u.…”

Section: Hydrogenation Propertiesmentioning

confidence: 99%

“…The Y 0.95 Ni 2 compound crystallizes in a single TmNi 2 -type superstructure type with a doubling of the cubic cell parameter and vacancies in the Y site (space group F43m, No. 216) [29][30][31]. The Y 0.9 Ni 2−y Mn y (0.1 ≤ y ≤ 0.3) alloys contain Y(Ni, Mn) 2 with a C15 structure (space group Fd3m, No.…”

Section: Structural Characteristics Of Y X Ni 2−y Mn Y Compoundsmentioning

confidence: 99%

“…In the previous work, neutron diffraction analysis and DFT calculation showed that, at a low Mn content, Y x Ni 2−y Mn y (x = 0.95, 0.90, 0.86, 0.825, y = 0, 0.1, 0.2, 0.3, 0.4, 0.5), the C15 structure is stabilized by vacancies in the A site. Meanwhile, for a larger Mn content, stabilization occurs through Mn substitution for Y in the A site and a reduction of Y vacancies [30]. The phase abundances and the lattice parameters of Y x Ni 2−y Mn y (0.825 ≤ x ≤ 0.95, 0.1 ≤ y ≤ 0.3) obtained by XRD Rietveld analyses are gathered in Table 1.…”

Section: Structural Characteristics Of Y X Ni 2−y Mn Y Compoundsmentioning

confidence: 99%

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Structural Evolution and Hydrogen Sorption Properties of YxNi2−yMny (0.825 ≤ x ≤ 0.95, 0.1 ≤ y ≤ 0.3) Laves Phase Compounds

Shen,

Paul-Boncour,

et al. 2024

Inorganics

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The YxNi2−yMny system was investigated in the region 0.825 ≤ x ≤ 0.95, 0.1 ≤ y ≤ 0.3. The alloys were synthesized by induction melting and corresponding annealing. The substitution of Mn for Ni (y = 0.1) favors the formation of a C15 structure with disordered Y vacancies against the superstructure of Y0.95Ni2. For y = 0.2 and 0.3, Mn can substitute in both Y and Ni sites. Single-phase compounds with a C15 structure can be formed by adjusting both the Y and Mn contents. Their hydrogen absorption–desorption properties were measured by pressure–composition isotherm (PCI) measurements at 150 °C, and the hydrides were characterized at room temperature by X-ray diffraction and TG–DSC experiments. The PCIs show two plateaus corresponding to the formation of crystalline and amorphous hydrides. The heating of the amorphous hydrides leads to an endothermic desorption at first and then a recrystallization into Y(Ni, Mn)3 and YHx phases. At higher temperatures, the Y hydride desorbs, and a recombination into a Y(Ni, Mn)2 Laves phase compound is observed. For y = 0.1, vacancy formation in the Y site and partial Mn substitution in the Ni site enhance the structural stability and suppress the hydrogen-induced amorphization (HIA). However, for a larger Mn content (y ≥ 0.2), Mn substitutes also in the Y sites at the expense of Y vacancies. This yields worse structural stability upon hydrogenation than for y = 0.1, as the mean ratio r(Y, Mn)/r(Ni/Mn) becomes larger than for y = 0.1 r(Y, ☐)/r(Ni/Mn).

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Section: Hydrogenation Propertiessupporting

confidence: 54%

Section: Mn Substitution Effects On Phase Occurrence and Structuresmentioning

confidence: 94%

Section: Hydrogenation Propertiesmentioning

confidence: 99%

Section: Structural Characteristics Of Y X Ni 2−y Mn Y Compoundsmentioning

confidence: 99%

Section: Structural Characteristics Of Y X Ni 2−y Mn Y Compoundsmentioning

confidence: 99%

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