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High magnesium mobility in ternary spinel chalcogenides.

Pieremanuele CanepaShou-Hang BoGopalakrishnan Sai GautamBaris KeyWilliam D RichardsTan ShiYaosen TianYan WangJuchuan LiGerbrand Ceder
Published in: Nature communications (2017)
Magnesium batteries appear a viable alternative to overcome the safety and energy density limitations faced by current lithium-ion technology. The development of a competitive magnesium battery is plagued by the existing notion of poor magnesium mobility in solids. Here we demonstrate by using ab initio calculations, nuclear magnetic resonance, and impedance spectroscopy measurements that substantial magnesium ion mobility can indeed be achieved in close-packed frameworks (~ 0.01-0.1 mS cm-1 at 298 K), specifically in the magnesium scandium selenide spinel. Our theoretical predictions also indicate that high magnesium ion mobility is possible in other chalcogenide spinels, opening the door for the realization of other magnesium solid ionic conductors and the eventual development of an all-solid-state magnesium battery.
Keyphrases
  • solid state
  • magnetic resonance
  • mass spectrometry
  • high resolution
  • ms ms
  • molecular dynamics simulations
  • density functional theory
  • monte carlo