双阳离子硼氢化物-氨基化物复合储氢材料的研究

项目名称： 双阳离子硼氢化物-氨基化物复合储氢材料的研究

项目编号： No.21476027

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 有机化学

项目作者： 白莹

作者单位： 北京理工大学

项目金额： 80万元

中文摘要： 硼氢化物及其衍生体系是配位氢化物的典型代表，也是一类极有应用潜力的高容量储氢材料，对推动氢经济的发展，尤其是对以燃料电池为潜在应用目标的在线供氢具有重要意义。针对目前硼氢化物等配位氢化物储氢材料在热稳定性、放氢反应机理与动力学等方面存在的基础科学问题，本项目设计合成双阳离子硼氢化物，通过低电负性和高电负性阳离子之间的匹配对材料的储氢量、热稳定性等因素进行综合调节；再将所得的复合硼氢化物与LiNH2、NaNH2等氨基化物进行复合，得到双阳离子硼氢化物-氨基化物构筑的复合配位氢化物，利用硼氢化物和氨基化物两类化合物中存在着不同价态的氢原子，在放氢反应中加速生成H2的歧化反应，并对反应动力学进行研究，探究其放氢过程的反应机理。通过上述研究，有望获得兼具高储氢量和良好动力学的新型储氢体系，为进一步调控储氢反应提供理论参考，为在线供氢模式提供新的思路。

中文关键词： 燃料电池；双阳离子硼氢化物；氨基化物；储氢材料；热分解

英文摘要： As a typical representative of coordination hydrides, borohydrides and their derivatives will play active and important roles in promoting the development of the Hydrogen Economy, especially for the development of the potential on-board hydrogen supply techniques for fuel cell applications. Aiming at the fundamental issues of the borohydrides and their derivatives, such as thermal stability, mechanisms of hydrogen generation, as well as poor kinetics, this project is planning to synthesize dication borohydrides, where the cations with high or low electronegativities are composed with each other, thus adjust their thermal stability efficiently. In addition, the dication borohydrides will be composited with amides, where the positive-valence H in borohydrides and negative-valence H in amide can help accelerating the disproportionation reaction for hydrogen generation. Furthermore, the mechanisms and the kinetics of the thermal decomposition reactions will be put forward in depth. Based on the above efforts, it is hopeful to gain new systems with high hydrogen-storage capacities and good hydrogen generation kinetics; and feasible to provide theoretical support for adjusting the hydrogen generation reactions and presenting new ideas for on-board hydrogen supply.

英文关键词： fuelcells;dication borohydride;amide;hydrogen storage materials;thermal decomposition