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• W2131229056 abstract "A novel type of complex rare-earth aluminum hydride was prepared by mechanochemical preparation. The crystal structure of the REAlH6 (with RE = La, Ce, Pr, Nd) compounds was calculated by DFT methods and confirmed by preliminary structure refinements. The trigonal crystal structure consists of isolated [AlH6]3− octahedra bridged via [12] coordinated RE cations. The investigation of the rare-earth aluminum hydrides during thermolysis shows a decrease of thermal stability with increasing atomic number of the RE element. Rare-earth hydrides (REHx) are formed as primary dehydrogenation products; the final products are RE-aluminum alloys. The calculated decomposition enthalpies of the rare-earth aluminum hydrides are at the lower end for reversible hydrogenation under moderate conditions. Even though these materials may require somewhat higher pressures and/or lower temperatures for rehydrogenation, they are interesting examples of low-temperature metal hydrides for which reversibility might be reached." @default.
• W2131229056 created "2016-06-24" @default.
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• W2131229056 date "2009-11-04" @default.
• W2131229056 modified "2023-10-18" @default.
• W2131229056 title "Complex Rare-Earth Aluminum Hydrides: Mechanochemical Preparation, Crystal Structure and Potential for Hydrogen Storage" @default.
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• W2131229056 doi "https://doi.org/10.1021/ja9042565" @default.
• W2131229056 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19886669" @default.
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