A PND Study on Phase Evolution During Dehydrogenation of Stoichiometric Lithium Hydride - Melamine System
The 6:1 LiH-C3N6H6 system contains 6.97 wt % of H2 and consists of commercially available materials in LiH and C3N6H6. Such relatively cheap materials are of interest since H2 production must meet the 2017 cost target of $400/kg H2, set by the US Department of Energy. The full theoretical capacity of hydrogen is released through a multi-step-process on heating the milled materials to 400 °C. Using differential thermalanalysis data, we have isolated several intermediate solid-state products at different temperature points and conducted ex-situ powder X-ray diffraction and FT Infrared Spectroscopy. Although we identify Li2NCN as the only solid-state product after all hydrogen is released, the dehydrogenation pathway is still unclear. Quantitative phase information vs. temperature will be determined from in-situ powder neutron diffraction data. The accurate structure of Li2NCN and possible nonstoichiometric intermediate compounds will be elucidated via Rietveld refinement against ex-situ PND data. Moreover, PND will help define the dehydrogenation pathway as the melamine ring is cleaved and allow us to extract kinetic information for the multistep reaction.
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GREGORY Duncan; Thomas C. Hansen; HOANG Tuan; RITTER Clemens and SU Tina Yu-Ting. (2014). A PND Study on Phase Evolution During Dehydrogenation of Stoichiometric Lithium Hydride - Melamine System. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-24-544
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