Enhanced tunability of thermodynamic stability of complex hydrides by the incorporation of H- anions
First-principles calculations were employed to investigate hypothetical complex hydrides (M,M')4FeH8 (M = Na, Li; M'=Mg, Zn, Y, Al). Besides complex anion [FeH6]4-, these materials contain two H- anions, which raise the total anionic charge state from tetravalent to hexavalent, and thereby...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
American Institute of Physics Inc.
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/43760 |