Lithium-calcium imide is explored as a catalyst for the decomposition of ammonia. It shows the highest ammonia decomposition activity yet reported for a pure light metal amide or imide, comparable to lithium imide-amide at high temperature, with superior conversion observed at lower temperatures. Importantly, the post-reaction mass recovery of lithium-calcium imide is almost complete, indicating that it may be easier to contain than the other amide-imide catalysts reported to date. The basis of this improved recovery is that the catalyst is, at least partially, solid across the temperature range studied under ammonia flow. However, lithium-calcium imide itself is only stable at low and high temperatures under ammonia, with in situ powder diffraction showing the decomposition of the catalyst to lithium amide-imide and calcium imide at intermediate temperatures of 200-460 °C.
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http://dx.doi.org/10.1039/c5fd00179j | DOI Listing |
Faraday Discuss
July 2016
Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR, UK and ISIS Facility, STFC Rutherford Appleton Laboratory, Harwell Campus, Didcot, OX11 0QX, UK.
J Phys Chem B
September 2008
Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.
In an attempt to tailor the dehydrogenation temperature of lithium imides, we have investigated the ternary imide Li 2Ca(NH) 2, which crystallizes in a structure (space group P3 m1) different from that of Li 2Mg(NH) 2 (space group Iba2). First-principles density functional calculations yield the stable ground-state structure along with the correct hydrogen positions. Compared with the structural and thermodynamic data of the pure lithium imides, those Ca or Mg partially substituted ternary imides show decreased reaction enthalpies as well as dehydrogenation temperatures.
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