Lightweight hydrogen-storage material Mg(0.65)Sc(0.35)D2 studied with 2H and 2H-{45Sc} MAS NMR exchange spectroscopy

Using double-quantum (2)H MAS NMR with (45)Sc recoupling and Bloch-Siegert compensated (2)H-{(45)Sc} TRAPDOR we have identified the overlapping NMR signals of deuterium with and without scandium neighbors in Mg(0.65)Sc(0.35)D(2), a candidate lightweight material for hydrogen storage. At room tempera...

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Bibliographic Details
Published in:Solid state nuclear magnetic resonance 2011-05, Vol.39 (3-4), p.88-98
Main Authors: Srinivasan, S, Magusin, P C M M
Format: Article
Language:English
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Summary:Using double-quantum (2)H MAS NMR with (45)Sc recoupling and Bloch-Siegert compensated (2)H-{(45)Sc} TRAPDOR we have identified the overlapping NMR signals of deuterium with and without scandium neighbors in Mg(0.65)Sc(0.35)D(2), a candidate lightweight material for hydrogen storage. At room temperature we also observe a third type of mobile deuterium. Deuterium mobility among the three NMR-distinct sites has been investigated by means of one-and two-dimensional exchange spectroscopy (Exsy). Complete deuterium exchange within 0.1s is observed, which indicates that the three NMR-distinct sites are close together in the crystal lattice. The weak temperature- and MAS-rate dependences observed in Exsy are indicative for a combination of chemical exchange and spin diffusion.
ISSN:1527-3326
DOI:10.1016/j.ssnmr.2011.04.005