Electronic structure and stability of palladium hydrogen (deuterium) systems, PdH(D)n, 1 &le n &le 3

被引：0

作者：

Switendick, Alfred C. ^{[1
]}

机构：

[1] Sandia Natl Lab, Albuquerque, United States

来源：

Journal of the less-common metals | 1991年 / 174卷 / 1-2期

关键词：

Palladium Compounds -Stability;

D O I：

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学科分类号：

摘要：

Total energy calculations as a function of lattice constant were performed for PdH, PdH2 and PdH3. Earlier calculations (A.C. Switendick, J. Less-Common Met., 130 (1987) 249) for PdH2 are corrected. The addition of hydrogen expands and hardens the lattice. Only PdH forms a stable hydride. Hydrogen-hydrogen separations greatly exceed those of the hydrogen molecule.

引用

页码：1363 / 1370

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