Electronic structure and stability of palladiumhydrogen (deuterium) systems, PdH (D) n, 1≤ n≤ 3
AC Switendick - Journal of the Less Common Metals, 1991 - Elsevier
Total energy calculations as a function of lattice constant were performed for PdH, PdH 2
and PdH 3. Earlier calculations (AC Switendick, J. Less-Common Met., 130 (1987) 249) for
PdH 2 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.
and PdH 3. Earlier calculations (AC Switendick, J. Less-Common Met., 130 (1987) 249) for
PdH 2 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.