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综述了近几年涌现出的一批新型轻质储氢材料,包括:碳纳米管、金属有机框架多孔材料、Al/B系复杂氢化物、金属-氮-氢系、金属有机复合物等,对其中采用第一性原理研究所取得的成果和最新的进展做了介绍,并结合实验结果做了应用分析.总结了各轻质储氢材料关联,为各种储氢材料设计之间提供了可以相互借鉴的方法,以便发展新的研究思路.
In this paper, a series of new lightweight hydrogen storage materials, including carbon nanotubes, porous metal-organic frameworks, complex Al / B hydride, metal-nitrogen-hydrogen and organometallic complexes, The achievements and the latest progress of the research using the first principle principle are introduced, and the application analysis is made based on the experimental results. The correlations among the light hydrogen storage materials are summarized, and the relationship between the various hydrogen storage material designs is provided We can learn from each other in order to develop new research ideas.