A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4

被引：46
|
作者：
Liu, JJ [1 ]
Ge, QF [1 ]
机构：
[1] So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA
来源：
CHEMICAL COMMUNICATIONS | 2006年 / 17期
关键词：
D O I：
10.1039/b600679e
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structure of a TiAl3Hx complex for the formation of a TiAl3 binary phase that could play important roles in the reversible de-/hydrogenation of Ti-doped NaAlH4 has been identified on the basis of first principles density functional theory studies.
引用
收藏
页码：1822 / 1824
页数：3
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