Heat of formation of non-stoichiometric palladium hydride using a cluster-Bethe lattice approximation
P D Anagnostaras; J E Lowther; P D Anagnostaras; Phys. Dept., Univ. of the Witwatersrand, Johannesburg, South Africa; J E Lowther; Phys. Dept., Univ. of the Witwatersrand, Johannesburg, South Africa
Журнал:
Journal of Physics F: Metal Physics
Дата:
1984-06-01
Аннотация:
The dispersion of hydrogen in PdH<sub>x</sub> (0<or=x<or=1) is investigated using a cluster-Bethe lattice approximation. Total energies are computed and are used to calculate the heat of formation of the non-stoichiometric hydride. Good agreement is found with experiment for x>or=0.5 while the disagreement at lower values of x suggests that the basic assumption of the model-that hydrogen is dispersed at random throughout the lattice-is incorrect, and that instead regions of high hydrogen concentration may occur together with regions of almost pure palladium.
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