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

页码：1822 / 1824

页数：3

共 22 条

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