Non-catalytic dehydrogenation of solid-state ammonia borane (AB) and sodium borohydride (SB) mixtures is achieved in this work by water vapor facilitated hydrothermolysis with a maximum release rate of 560 ml g⁻¹ s⁻¹ at 53.5 °C and dehydrogenation capacity between 7.8 wt% (measured) and 11.7 wt% (theoretical). A novel dehydrogenation pathway is identified, in which intermolecular interaction causes the formation of intermediates and further enables the prevalence of homopolar dehydrocoupling between –BH moieties in AB and SB. The low-temperature heat used in hydrothermolysis enhances the intermolecular interaction, and the oxygen and hydrogen supplied by water vapor promote the dehydrogenation by forming products. This new hydrogen liberation method can uniquely operate without any catalyst, liquid solvent, or high temperature, and provides a compelling solution for disposable hydrogen source application. The present work also unveils for the first time the unique hydride–hydride homopolar dehydrogenation mechanism, which may unlock the true potential of chemical hydride based hydrogen storage systems.

中文翻译：

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通过分子间相互作用和受约束的水驱动的基于同极性的脱氢偶联从氨硼烷和硼氢化钠混合物中有效释放氢

这项工作中，通过水蒸气促进的水热解氢实现了固态氨硼烷（AB）和硼氢化钠（SB）混合物的非催化脱氢，最大释放速率为560 ml g ^-1 s ^-1在53.5°C下的脱氢能力为7.8 wt％（实测值）至11.7 wt％（理论值）。确定了一种新颖的脱氢途径，其中分子间的相互作用导致中间体的形成，并进一步使AB和SB中–BH部分之间的同极性脱氢偶联成为普遍现象。加氢热解中使用的低温热增强了分子间的相互作用，并且水蒸气提供的氧和氢通过形成产物促进脱氢。这种新的氢释放方法无需任何催化剂，液体溶剂或高温即可独特地运行，并为一次性氢源应用提供了引人注目的解决方案。本工作还首次揭示了独特的氢化物-氢化物同极性脱氢机理，