Co,Mn元素在LaNi_5储氢合金中的作用机理  

Function of Co and Mn in the LaNi_5 Hydrogen-Storage Alloy

作　　者：钱存富[1] 杜昊[1] 王洪祥[1] 

机构地区：[1]东北大学,沈阳110006

出　　处：《稀有金属材料与工程》1999年第6期368-370,共3页Rare Metal Materials and Engineering

基　　金：沈阳市科委攻关项目

摘　　要：利用固体与分子经验电子理论（EET）计算了LaNi5合金的价电子结构和Co、Mn原子替代LSNi5中部分Ni原子后所形成的各种晶胞情况下连接上下两层原子的主要键的键能。Mn原子替代Ni2原子后上述键能增大，Co原子无论替代Ni1或Ni2都能使相关键能增加，两种原子同时替代，其键能增加更明显。可知：Co和Mn是通过增大连接上下两层原子的主要键的键能达到强化合金、延缓合金粉化，从而提高LaNi5合金的循环寿命。The LaNi5 alloy is a typical hydrogen-storage material. On the basis of the empirical electron theory of solids andmolecules (EET), the valence electron structures of the LaNi5 alloy and bond energies of main bonds between upper strata andlower strata for substitution of Co andor Mn for partial Ni in the LaNi5 alloy are calculated. The results indicate that these bondenergies increase when Mn is subslituted for Ni2, or Co is substituted for Ni, or Ni2. When both Mn and Ni are substituted forNi, the bond energies increase greatly. as a result of which the lifetime of the LaNi5 alloy increases.

关 键 词：LANI5合金 钴 锰 键能 储氢合金 

分 类 号：TG139.7[一般工业技术—材料科学与工程]