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Force of attraction: The structures and electron distribution of the hydrogen storage materials AlH3, MgH2 and NaAlH4 were explored in detail. Topological analysis of DFT computed electron densities revealed a plethora of stabilizing interactions between negatively charged hydrogen atoms in these and other hydrides of light metals (see diagram), some of which are remarkably strong and might play a role in the desorption of hydrogen.
<!--Unmatched element: w:blockFixed-->| Authors: | Peter Sirsch, Franklin N. Che, James T. Titah, G. Sean McGrady | |
| Journal: | Chemistry - A European Journal | |
| Year: | 2012 | |
| Pages: | n/a | |
| DOI: | 10.1002/chem.201200803 | |
| Publication date: | 22-06-2012 |
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