MOFs 材料作为储氢领域的一名新军，由于具有纯度高、结晶度高、成本低、能够大批量生产、结构可控等优点，正受到全球范围的极大关注，近年来已成为国际储氢界的研究热点。经过近 10 年的努力，MOFs 材料在储氢领域的研究已取得很大的进展，不仅储氢性能有了大幅度的提高，而且用于预测 MOFs材料储氢性能的理论模型和理论计算也在不断发展、逐步完善。但是，目前仍有许多关键问题亟待解决。比如，MOFs 材料的储氢机理尚存在争议、MOFs材料的结构与其储氢性能之间的关系尚不明确、MOFs 材料在常温常压下的储氢性能尚待改善。这些问题的切实解决将对提高 MOFs 材料的储氢性能并将之推向实用化进程发挥非常重要的作用。
(English version)
  Metal organic framework materials (MOFs) are a kind of coordination polymers that have developed rapidly in the past ten years. They have a three-dimensional pore structure. Generally, metal ions are used as the connection points. The organic ligands support the space to form a 3D extension. It is an important new type of porous material outside the Zeolite and carbon nanotube, and is widely used in catalysis, energy storage and separation. At present, most researchers are committed to experimental and theoretical research on hydrogen storage. The role of metal cations in the framework of MOFs is on the one hand to serve as a node to provide the center of the framework, on the other hand to form branches in the center, thereby enhancing the physical properties of MOFs (such as porosity and chirality). The specific surface area of this type of material is much larger than that of molecular sieve with similar pores, and it can maintain the integrity of the skeleton after removing the solvent molecules in the pores. Therefore, MOFs have many potential special properties, such as selective catalysis, molecular recognition, reversible host-guest molecule (ion) exchange, ultra-high purity separation, bioconducting materials, optoelectronic materials, magnetic materials and chips. The attractive application prospects are shown in the development of new materials, which brings a new dawn to the science of porous materials. The structures of common different types of metal organic framework materials are shown in the following figure.
  As a new force in the field of hydrogen storage, MOFs materials are attracting global attention due to their advantages of high purity, high crystallinity, low cost, mass production, and controllable structure. In recent years, they have become the research hotspot in the international hydrogen storage. After nearly 10 years of efforts, the research on MOFs materials in the field of hydrogen storage has made great progress. Not only the hydrogen storage performance been greatly improved, but also the theoretical models and theoretical calculations used to predict the hydrogen storage performance of MOFs materials are developing continuously and improving gradually. However,  there are still many key issues that need to be resolved urgently. For example, the hydrogen storage mechanism of MOFs materials is still controversial, the relationship between the structure of MOFs materials and their hydrogen storage performance is not clear, and the hydrogen storage performance of MOFs materials at room temperature and pressure has yet to be improved. The practical solution of these problems will play a very important role in improving the hydrogen storage performance of MOFs and pushing it to practical use.