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;
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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.
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页码：1363 / 1370
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