R-Mg-Ni系层状化合物储氢性能与Laves相R2-xMgxNi4吸放氢特性的相关性

针对R-Mg-Ni体系储氢化合物存在的关键科学问题，在本人前期研究的基础上，该项目提出研究R-Mg-Ni系层状化合物储氢性能与Laves相R2-xMgxNi4吸放氢特性的相关性这一课题。拟系统研究在[R2-xMgxNi4]单元中不同R/Mg成分比情况下R-Mg-Ni系层状化合物的储氢性能与Laves型化合物R2-xMgxNi4的吸放氢特性之间的关联；探索原子半径比rA/rB对层状化合物与Laves相RMgNi4之间储氢性能相关性的影响规律和机制；详细研究原子半径比rA/rB分别大于、等于和小于1.37三种情况下[RNi5]/[RMgNi4]单元比对层状化合物与RMgNi4化合物之间储氢性能相关性的影响规律和机理；最后，从电化学性能角度查明层状化合物与Laves型化合物之间的相关性。通过这些研究，全面地掌握复杂结构金属间化合物的共性问题和相互关系，为开发高性能镍氢电池电极材料奠定理论基础。

To solve some key scientific problems of R-Mg-Ni hydrogen storage compounds, a research project for the study on relevance of hydrogen storage properties of layered compounds in R-Mg-Ni systems to hydrogen absorption-desorption features of Laves-type R2-xMgxNi4 is proposed on the basis of our previous investigations. The correlations between hydrogen storage properties of layered R-Mg-Ni compounds and hydrogen absorption-desorption features of Laves-type R2-xMgxNi4 compounds will be systemically studied in cases of different R/Mg ratios. Then the effect of atomic radius ratio rA/rB on the relevance of hydrogen storage properties of layered compounds to the Laves phase RMgNi4 will be investigated. Furthermore, the effect of [RNi5]/[RMgNi4] unit ratio on the relationship will also be researched to reveal their hydrogen storage mechanisms as the rA/rB value is larger than, equal to and smaller than 1.37, respectively. Finally, the relevance of electrochemical properties between layered compounds and Laves-type compounds will be studied. After all the investigations the mutual problems of the intermetallic compounds with complex structures can be solved and their relationships may be understood, offering a theoretical foundation for the researches and developments of electrode materials for Ni/MH batteries.