Synthesis and crystal structure of a novel nitride hydride Sr2LiNH2

Liu, D.M.; Liu, Q.Q.; Si, T.Z.; Zhang, Q.A.

doi:10.1016/j.jallcom.2010.02.011

Cited by 11 publications

(23 citation statements)

References 31 publications

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“…Among these, Li4NH has been studied in more details. [1][2][3][4][5] Additionally, the nitridehydrides of the alkaline earth metals calcium, 6 strontium, 7 and barium 7 have been reported.…”

Section: Introductionmentioning

confidence: 99%

Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺

et al. 2019

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The nitride-hydride Ba3CrN3H was obtained in single crystalline form using flux growth techniques based on alkaline earth metals. Ba3CrN3H crystallizes in the hexagonal space group P63/m (Nr 176), with the lattice parameters a = 8.0270(2) Å and c = 5.6240(1) Å, Z=2. The structure comprises [CrN3] 5trigonal planar units, and [HBa6] 11+ octahedral units. The presence of anionic hydrogen in the structure has been verified by 1 H NMR experiments. DFT calculations show that the addition of hydrogen increases the stability of the phase versus Ba3CrN3. The two d-electrons of Cr 4+ are located in the non-bonding dz 2 orbital, rendering Ba3CrN3H non-magnetic and insulating.

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Section: Introductionmentioning

confidence: 99%

Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺

et al. 2019

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“…We also investigated the tetragonal structure of Ref. 27, but we found it to have a higher energy. We show the orthorhombic unit cells for SLHN in Fig.…”

Section: Structurementioning

confidence: 99%

“…21 Alkalineearth nitride hydrides, such as Sr 2 NH and Ba 2 NH, have also been synthesized, 22,23 and they have been shown to exhibit high hydride diffusion. 24,25 Two groups have synthesized and characterized Sr 2 LiH 2 N (SLHN), 26,27 though ion transport was not measured, This material has a very similar structure to La 2−x Sr x LiH 1+x O 3−x (LSLHO), the only oxyhydride to have been demonstrated in a fuel cell. 12,28 Kobayashi et al noted that hydride conductivity increases as the Sr-to-La ratio increases in LSLHO; 12 however, as we have previously seen, the stability of the oxyhydride decreases with increasing Sr content.…”

Section: Introductionmentioning

confidence: 99%

Hydride Conductivity in Nitride Hydrides

Rowberg,

Van de Walle

2021

Preprint

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Nitride hydrides are a largely unexplored class of materials with promising applications in solid-state hydrogen fuel cells. Here, we use first-principles calculations to characterize defects and ionic mobility in Sr 2 LiH 2 N (SLHN), a nitride hydride with high hydride conductivity. Calculating defect formation energies, we find that SLHN contains high concentrations of hydrogen interstitials (H i ). H − i migrates with very low energetic barriers, which, together with its low formation energy, implies that SLHN will have excellent hydride kinetics, potentially surpassing those of other known hydride electrolytes. Oxygen contamination is a concern, meaning that encapsulation will be critical. By direct analogy to the La/Sr-based oxyhydrides, which have similar crystal structures, we also investigate the La-based nitride hydride La 2 LiHN 2 but find that it will be significantly less conductive, and thus not as technologically useful. Our findings buttress the exploration of SLHN and similar nitride hydrides for use in solid-state hydrogen fuel cells.

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“…Based on the above phase composition analysis, the dehydrogenation reactions during the heating process can be deduced. Since SrH 2 can react with LiNH 2 to form LiSrH 3 and SrNH at temperatures up to 180 °C according to reaction (2) 33 and that 13 wt.% SrH 2 is present in the starting material Sr 2 AlH 7 , the first dehydrogenation step for the Li-Sr-Al-N-H system was thought to be originated from the reaction between SrH 2 and LiNH 2 .…”

Section: Dehydrogenation Reactionsmentioning

confidence: 99%

Thermal Dehydrogenation Characteristics of Li-Sr-Al-N-H Hydrogen Storage System

Zhang

et al. 2017

Mat. Res.

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Thermolysis behavior of the Li-Sr-Al-N-H hydrogen storage system prepared by ball milling of Sr 2 AlH 7 + LiNH 2 mixture was investigated in this paper. The results show that thermal decomposition of the Li-Sr-Al-N-H system proceeds mainly in two steps with only hydrogen desorption. The thermal stability of this system is lowered as compared to the individual starting material, resulting in the hydrogen desorption initiating from about 125 °C. In addition, about 0.91 and 1.53 wt.% of hydrogen can be isothermally desorbed within 180 min at 180 and 330 °C, respectively. The decreased thermal stability of the Li-Sr-Al-N-H system might be attributed to the chemical reactions between the starting materials during the heating process with the formation of LiSrH 3 and N-containing amorphous phases.

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Synthesis and crystal structure of a novel nitride hydride Sr2LiNH2

Cited by 11 publications

References 31 publications

Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺

Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺

Hydride Conductivity in Nitride Hydrides

Thermal Dehydrogenation Characteristics of Li-Sr-Al-N-H Hydrogen Storage System

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Synthesis and crystal structure of a novel nitride hydride Sr2LiNH2

Cited by 11 publications

References 31 publications

Ba3CrN3H: A New Nitride-Hydride with Trigonal Planar Cr4+

Ba3CrN3H: A New Nitride-Hydride with Trigonal Planar Cr4+

Hydride Conductivity in Nitride Hydrides

Thermal Dehydrogenation Characteristics of Li-Sr-Al-N-H Hydrogen Storage System

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Product

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Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺

Ba₃CrN₃H: A New Nitride-Hydride with Trigonal Planar Cr⁴⁺