作　　者： ; ; ; ; ; ;

机构地区： 四川大学材料科学与工程学院

出　　处： 《物理学报》 2009年第7期4853-4861,共9页

摘　　要： 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. Many new lightweight hydrogen storage materials developed in recent yesrs were reviewed, including carbon nanotubes, microporous metal-organic frameworks materials, complex aluminum/ boracium hydrides, metal-nitrogen-hydrogen systems, and metal-organic complexes, etc. Novel results and important progress studied through the state-of-the-art first-pricinples about the above materials were introduced, and the applications of the materials were analyzed and discussed in combination with experimental results. The relationship between these lightweight hydrogen storage materials were generalized, which suggests the methods of the design of material in the field of energy storage, and promotes new idea for research.

关 键 词： 储氢材料 第一性原理 从头算 密度泛函理论

领　　域： [理学] [理学] [金属学及工艺] [一般工业技术] [金属学及工艺]