Static disorder and structural correlations in the low temperature phase of lithium imide
Based on ab-initio molecular dynamics simulations, we investigate the low temperature crystal structure of Li2NH which in spite of its great interest as H-storage material is still matter of debate. The dynamical simulations reveal a precise correlation in the fractional occupation of Li sites which...
| Main Authors: | , , , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado: |
2010
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