Hydrazine borane (N₂H₄BH₃, HB), a typical B–N–H compound with very high hydrogen content (15.4 wt %), is regarded as an efficient hydrogen storage material. However, during the pyrolysis at ambient pressure, solid HB decomposes, losing ∼30 wt %, which is rationalized by the evolution of hydrazine (N₂H₄). Here, high pressure is introduced as an analogous catalyst role that enable to optimize the decomposition pathway of solid HB. This approach improves the H atomic utilization to over 95%. Energy-dispersive spectroscopy (EDS) analysis indicates that pressure inhibits the production of N₂H₄, in-situ high-pressure–high-temperature Raman and in-situ high-pressure Infrared (IR) spectra, Density functional theory (DFT) calculation, and Hirshfeld analysis reveal that this inhibition is a consequence of pressure-enhanced dihydrogen and BN bonds. The superior hydrogen release properties of HB under high pressure make it a candidate for use in the synthesis of superconductor CeH₉ as a hydrogen source.

中文翻译：

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通过优化固体肼硼烷分解路径提高 H 原子利用率的压力策略


肼硼烷（N ₂ H ₄ BH ₃ ，HB）是一种典型的B-N-H化合物，具有很高的氢含量（15.4 wt%），被认为是一种高效的储氢材料。然而，在环境压力下的热解过程中，固体HB分解，损失约30wt%，这通过肼(N ₂ H ₄ )的放出而合理化。在这里，引入高压作为类似的催化剂作用，能够优化固体HB的分解途径。这种方法将 H 原子利用率提高到 95% 以上。能量色散光谱（EDS）分析表明压力抑制N ₂ H ₄的产生，原位高压高温拉曼和原位高压红外（IR）光谱，密度泛函理论（DFT）计算和赫什菲尔德分析表明，这种抑制是压力增强的二氢键和氮化硼键的结果。 HB在高压下优异的放氢性能使其成为合成超导体CeH ₉作为氢源的候选材料。