Abstract
The hydrogen storage compounds Zr(Fe x Cr 1− x ) 2 are examined in terms of hydrogen capacities, electron concentrations and heats of formation. Electronic effects are demonstrated by expanding Pauling's simple bond distance equation. Alloy heats of formation are evaluated based on Miedema's model of binary alloy formation, while hydride stabilities are calculated using the so-called “rule of reversed stability.” Alloy stabilities are shown to increase, while hydride stabilities decrease, with increasing iron substitution. This is directly related to charge transfer effects, as charge transfer away from zirconium becomes more prevalent at higher iron concentrations.
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