NMR Studies of the Hydrogen Storage Compound NaMgH3

Abstract

Hydrogen and 23Na NMR were performed to 400 °C on NaMgH3 powder produced by reactive ball-milling of NaH and MgH2. The H resonance shows narrowing already at 100 °C as a narrow line superimposed on the broad, rigid-lattice signal. With increasing temperature, the fraction of spins in the narrow component grows smoothly, approaching 100% near 275 °C. This heterogeneous narrowing suggests a wide distribution of H motion rates. After annealing at 400 °C, the narrow component intensity at temperatures below 200 °C was substantially reduced and both H and 23Na relaxation rates 1/T1 were decreased. Thus, it appears that the high rates of H motion, particularly on first heating, are due to regions with poorly organized crystal structure. If this disorder could be maintained, this might be an avenue toward improved reaction kinetics of this or other hydrides. In the annealed sample, the activation energy for H diffusion is approximately 95 kJ/mol.