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

Bull, D.J., Weidner, E., Shabalin, I.L., Telling, M.T.F., Jewell, C.M., Gregory, D.H. and Ross, D.K. (2010) Pressure-dependent deuterium reaction pathways in the Li-N-D system. Physical Chemistry Chemical Physics, 12(9), pp. 2089-2097. (doi: 10.1039/b903821n)

Abstract

Neutron difraction 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 Li3N + 2D(2) <-> Li2ND + LiD + D-2 <-> 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.

• Item Type: Articles
• Keywords: CELL CRYSTAL-STRUCTURE DEHYDROGENATION H SYSTEM High Pressure HYDROGEN STORAGE PROPERTIES IMIDE IN-SITU LATTICE LITHIUM AMIDE MECHANISM METAL NITRIDES PHASE POWDER DIFFRACTION SITU NEUTRON-DIFFRACTION
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Gregory, Professor Duncan
• Authors: Bull, D.J., Weidner, E., Shabalin, I.L., Telling, M.T.F., Jewell, C.M., Gregory, D.H., and Ross, D.K.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Physical Chemistry Chemical Physics
• ISSN: 1463-9076
• Published Online: 15 January 2010