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Title: Reaction Mechanisms in the Li3AlH6/LiBH4 and Al/LiBH4 Systems for Reversible Hydrogen Storage. Part 2: Solid-State NMR Studies

Journal Article · · Journal of Physical Chemistry C, 115(2011):6048-6056
DOI:https://doi.org/10.1021/jp109113f· OSTI ID:1026587

In Part 1, the promising hydrogen storage properties of the combined systems of Li3AlH6/LiBH4 and Al/LiBH4, exhibiting the favorable formation of AlB2 during dehydrogenation, were presented based on TGA and XRD analyses. The present Part 2 describes the characterization of the intermediate and final products of the dehydrogenation and rehydrogenation of the above systems by multinuclear solid state NMR characterization. This work has also verified that the presence of Al resulted in the re-formation of LiBH4 occurring at a much lower temperature and H2 pressure, under which conditions the dehydrogenation product from LiBH4 alone does not show any degree of rehydrogenation. NMR studies mainly identified various reaction intermediates for LiBH4 dehydrogenation/rehydrogenation reactions. Unlike the XRD studies, the AlB2 formation in particular could not be unambiguously confirmed by NMR. 27Al NMR showed that aluminum was mainly involved in various Li-Al alloy formations. The catalytic role of Al in the LiBH4 hydrogen storage reactivity could be achieved by a reversible cycle of Al + LiH ↔ LiAl + 1/2H2 reaction.

Research Organization:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC05-76RL01830
OSTI ID:
1026587
Report Number(s):
PNNL-SA-75129; EB4202000; TRN: US201120%%916
Journal Information:
Journal of Physical Chemistry C, 115(2011):6048-6056, Vol. 115, Issue 13; ISSN 1932-7447
Country of Publication:
United States
Language:
English