@misc{valentoni_new_insights_2014, author={Valentoni, A., Garroni, S., Pistidda, C., Masolo, E., Napolitano, E., Moretto, P., Dornheim, M., Mulas, G., Enzo, S.}, title={New insights into the thermal desorption of the 2LiNH2 + KBH4 + LiH mixture}, year={2014}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ijhydene.2014.07.169}, abstract = {In situ two-dimensional synchrotron X-ray powder diffraction investigation combined with Rietveld method data analysis were performed in order to yield a complete and quantitative phases structure evolution of the polycrystalline mixture 2LiNH2 + KBH4 + LiH during H2 desorption. While a first-principles, purely thermodynamics approach of the system predicted a single dehydrogenation step reaction at relatively low temperatures, it is assessed experimentally that the reaction occurs in two steps with first the formation of Li2NH at ca. 230 °C due to the reaction between LiNH2 and LiH plus hydrogen and ammonia evolution, followed by an additional reaction of the resulting phases with KBH4 at 360 °C, which releases hydrogen and leads to the formation of the monoclinic and tetragonal Li3BN2 polymorphs. Besides pointing out possible limits of a purely thermodynamics approach inevitably relying exact knowledge of experimental quantities, it is concluded that before assuming it viable for on-board vehicle use, additional stoichiometries may be worth of investigation in order to assess any existence of lower hydrogen desorption temperature of such system.}, note = {Online available at: \url{https://doi.org/10.1016/j.ijhydene.2014.07.169} (DOI). Valentoni, A.; Garroni, S.; Pistidda, C.; Masolo, E.; Napolitano, E.; Moretto, P.; Dornheim, M.; Mulas, G.; Enzo, S.: New insights into the thermal desorption of the 2LiNH2 + KBH4 + LiH mixture. International Journal of Hydrogen Energy. 2014. vol. 39, no. 30, 17075-17082. DOI: 10.1016/j.ijhydene.2014.07.169}}