@misc{le_design_of_2018, 
author={Le, T.,Pistidda, C.,Puszkiel, J.,Castro Riglos, M.,Karimi, F.,Skibsted, J.,Payandeh GharibDoust, S.,Richter, B.,Emmler, T.,Milanese, C.,Santoru, A.,Hoell, A.,Krumrey, M.,Gericke, E.,Akiba, E.,Jensen, T.,Klassen, T.,Dornheim, M.},
title={Design of a Nanometric AlTi Additive for MgB2-Based Reactive Hydride Composites with Superior Kinetic Properties},
year={2018},
howpublished = {journal article},
doi = {https://doi.org/10.1021/acs.jpcc.8b01850},
abstract = {Solid-state hydride compounds are a promising option for efficient and safe hydrogen-storage systems. Lithium reactive hydride composite system 2LiBH4 + MgH2/2LiH + MgB2 (Li-RHC) has been widely investigated owing to its high theoretical hydrogen-storage capacity and low calculated reaction enthalpy (11.5 wt % H2 and 45.9 kJ/mol H2). In this paper, a thorough investigation into the effect of the formation of nano-TiAl alloys on the hydrogen-storage properties of Li-RHC is presented. The additive 3TiCl3·AlCl3 is used as the nanoparticle precursor. For the investigated temperatures and hydrogen pressures, the addition of ∼5 wt % 3TiCl3·AlCl3 leads to hydrogenation/dehydrogenation times of only 30 min and a reversible hydrogen-storage capacity of 9.5 wt %. The material containing 3TiCl3·AlCl3 possesses superior hydrogen-storage properties in terms of rates and a stable hydrogen capacity during several hydrogenation/dehydrogenation cycles. These enhancements are attributed to an in situ nanostructure and a hexagonal AlTi3 phase observed by high-resolution transmission electron microscopy. This phase acts in a 2-fold manner, first promoting the nucleation of MgB2 upon dehydrogenation and second suppressing the formation of Li2B12H12 upon hydrogenation/dehydrogenation cycling.},
note = {Online available at: \url{https://doi.org/10.1021/acs.jpcc.8b01850} (DOI). Le, T.; Pistidda, C.; Puszkiel, J.; Castro Riglos, M.; Karimi, F.; Skibsted, J.; Payandeh GharibDoust, S.; Richter, B.; Emmler, T.; Milanese, C.; Santoru, A.; Hoell, A.; Krumrey, M.; Gericke, E.; Akiba, E.; Jensen, T.; Klassen, T.; Dornheim, M.: Design of a Nanometric AlTi Additive for MgB2-Based Reactive Hydride Composites with Superior Kinetic Properties. The Journal of Physical Chemistry C. 2018. vol. 122, no. 14, 7642-7655. DOI: 10.1021/acs.jpcc.8b01850}}