Intermediate species and kinetics of lithium imide decomposition

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Department of Materials Science and Engineering


The decomposition of lithium imide (Li2NH) is an important step for hydrogen storage in Li3N. In this paper, the decomposition of Li 2NH was investigated by using temperatureprogrammed decomposition (TPD) and X-ray diffraction (XRD) techniques. It was found that the decomposition of Li2NH produced Li, N2 and H2 via two steps: Li2NH into an intermediate speciesdLi4NH and then into Li. The kinetic analysis of Li2NH decomposition showed that the activation energies are 533.6 kJ/mol for the first step and 754.2 kJ/mol for the second step. Furthermore, XRD demonstrated that the Li4NH, which was generated in the decomposition of Li2NH, formed a solid solution with Li 2NH. In the solid solution, Li4NH possesses a similar cubic structure as Li2NH. The lattice parameter of the cubic Li4NH is 0.5033 nm.

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Copyright © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. Publisher’s version of record: https://doi.org/10.1016/j.ijhydene.2011.12.061

Publication Title

International Journal of Hydrogen Energy