Enhanced tunability of thermodynamic stability of complex hydrides by the incorporation of H- anions

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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...

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Bibliographic Details
Main Authors:	Takagi, S., Humphries, Terry, Miwa, K., Orimo, S.
Format:	Journal Article
Published:	American Institute of Physics Inc. 2014
Online Access:	http://hdl.handle.net/20.500.11937/43760

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