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Mar 20 – 23, 2023
Campus Garching
Europe/Berlin timezone

Hydrogen storage chemistry: the path of phase transformation in 6Mg(NH2)2:9LiH:12LiBD4 during hydrogen-emission reaction

Mar 20, 2023, 4:00 PM
Yards 4 - 6 (Fakultät für Maschinenwesen)

Yards 4 - 6

Fakultät für Maschinenwesen

Board: MO-125
Poster Chemistry of Materials (Structure and Spectroscopy) Poster Session MONDAY


Anastasiia Kuznetsova (WPN Hereon Garching branch)


Hydrogen storage technologies in low weight hydrides promise an aid with the global aim of CO2-emissions reduction. High mass energy densities are needed e.g. for heavy-load long distance mobility like trains, trucks, and airplanes. One of the potential reaction based systems is Mg(NH2)2+LiH with a reversible hydrogen capacity of 5.6 wt.% below 200oC. The kinetics of hydrogen desorption/reabsorption is one of the cornerstones of hydrogen storage materials characteristics. The formation of an intermediate phase with LiBH4 improves it. It is speculated that subsequent melting of e.g. α-phase Li4(BH4)(NH2)3 or β-phase Li4(BH4)2(NH2)2 improves the hydrogen diffusion.

The mixtures described in literature are denoted 6:9:x, 6Mg(NH2)2:9LiH:xLiBD4, where x grows from 0.5 to 12. It has been shown that the increase of x leads to faster reaction kinetics at the cost of loss of mass hydrogen capacity (for 6:9:12 down to 2.3 wt.%).

Neutron diffraction measurements at the diffractometer HRPT at PSI were conducted on the ball milled mixture 6Mg(NH2)2:9LiH:12LiBD4. Measurements were performed at several temperatures (RT, 50, 80, 90oC) in a vanadium container and during heating up to 180oC in a steel container while pumping out the released hydrogen. The phase composition was determined in the as-prepared state and in-situ during heating up to the melting transition. The disappearance of precursors and appearance of new ones was registered after cooling back down to the room temperature.

Primary author

Anastasiia Kuznetsova (WPN Hereon Garching branch)


Arnab Majumdar (Helmholtz Zentrum hereon) Claudio Pistidda (Helmholtz-Zentrum Hereon, Germany) Dr Denis Sheptyakov (PSI CH) Gaetano Mangiapia (German Engineering Materials Science Centre (GEMS) am Heinz Maier-Leibnitz Zentrum (MLZ)) Gökhan Gizer (Helmholtz-Zentrum Hereon, Germany) Prof. Martin Müller (Helmholtz-Zentrum hereon GmbH) Dr Sebastian Busch (GEMS at MLZ, Helmholtz-Zentrum Hereon, Germany) Wiebke Lohstroh

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