Electronic structure and stability of palladiumhydrogen (deuterium) systems, PdH(D)n, 1≤n≤3

Name: Electronic structure and stability of palladiumhydrogen (deuterium) systems, PdH(D)n, 1≤n≤3
Creator: A.C. Switendick
Keywords: 7. Clean energy, 3. Good health

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1991 English Publisher:Elsevier BVJournal:Journal of the Less Common Metals, volume 172-174, pages 1,363-1,370 (issn: 0022-5088,

Authors: A.C. Switendick;

doi: 10.1016/s0022-5088(06)80047-0

Electronic structure and stability of palladiumhydrogen (deuterium) systems, PdH(D)n, 1≤n≤3

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Abstract

Abstract 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.

Related Organizations

National Nuclear Security Administration
United States
Sandia National Laboratories
United States
Sandia National Laboratories California
United States

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