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Publication in Physical Chemistry Chemical Physics - Inside cover

New chemical compounds may pave the way for developing new battery types

2020.07.28 | Marianne Sommer

Jakob Grinderslev and Mathias Jørgensen. Photo: AU

Mathias Jørgensen, Jakob Grinderslev, and Torben R. Jensen, Dept. of Chemistry/iNANO, have, together with researchers from Dept. of Physics and Astronomy, discovered new compounds, which are fast cation conductors. The cation conductivity occurs via a new mechanism, which is also efficient for multi-valent cations. Density functional theory calculations (DFT) reveal that the neutral molecule (NH3) in Mg(BH4)2NH3 is exchanged between the lattice and interstitial Mg2+ facilitated by a highly flexible structure, mainly owing to a network of di-hydrogen bonds, N–Hd+--dH–B. DFT shows that di-hydrogen bonds in inorganic matter and hydrogen bonds in bio-materials have similar bond strengths and bond lengths. Furthermore, they demonstrate that the ion conductivity can be further improved by addition of inert nano-particles. 

These discoveries may pave the way for future high-energy density solid-state batteries, beyond the lithium-ion battery.

Link to publication: The mechanism of Mg2+ conduction in ammine magnesium borohydride promoted by a neutral molecule


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