Pressure-dependent deuterium reaction pathways in the Li-N-D system

Daniel J. Bull, Eveline Weidner, Igor L. Shabalin, Mark T.F. Telling, Catherine M. Jewell, Duncan H. Gregory, D. Keith Ross

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24 Citations (Scopus)


Neutron diffraction data from in situ deuteration and dedeuteration of Li3N are presented under different pressure regimes, whereby reaction pathways differing from the widely reported stoichiometric pathway of Li 3N + 2D2 ↔ Li2ND + LiD + D2 ↔ LiND2 + 2LiD are observed. At sufficiently high pressures, where the deuterium chemical potential is comparable with the heat of amide formation, the reaction appears to be driven straight to the amide plus deuteride phase mixture. At lower pressures, a cubic phase exhibiting a concentration-dependent variation in lattice parameter is observed. In dedeuteration, two sets of reflections from cubic structures with distinct lattice parameters are observed, both of which exhibit a continual decrease in cell volume. The reaction pathways are discussed in terms of the compositional variation.

Original languageEnglish
Pages (from-to)2089-2097
Number of pages9
JournalPhysical Chemistry Chemical Physics
Issue number9
Publication statusPublished - Feb 26 2010

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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