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Showing 1 to 1 of 1 for “"Mg31H62"”.

  1. Thermodynamics and kinetics of hydrogen storage in magnesium hydride: a theoretical study of catalyst-dopant, defect, and size effects

    … Although small nanocluster (we focused on Mg31H62) structures are disordered (amorphous), the semi-infinite surfaces and nanoclusters have similar single, double, and triple H-to-metal bond configurations that yield similar H-desorption energies. Hence, we find that there is no size effect …

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