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Title: | High magnesium mobility in ternary spinel chalcogenides | Authors: | Canepa, P Bo, S.-H Sai Gautam, G Key, B Richards, W.D Shi, T Tian, Y Wang, Y Li, J Ceder, G |
Keywords: | chalcogen magnesium magnesium ion selenide ion magnesium mobility prediction scandium theoretical study ab initio calculation Article conductance crystal structure density functional theory diffusion electrochemical impedance spectroscopy enthalpy molecular dynamics nuclear magnetic resonance reaction analysis room temperature signal noise ratio synthesis temperature sensitivity X ray diffraction |
Issue Date: | 2017 | Publisher: | Nature Publishing Group | Citation: | Canepa, P, Bo, S.-H, Sai Gautam, G, Key, B, Richards, W.D, Shi, T, Tian, Y, Wang, Y, Li, J, Ceder, G (2017). High magnesium mobility in ternary spinel chalcogenides. Nature Communications 8 (1) : 1759. ScholarBank@NUS Repository. https://doi.org/10.1038/s41467-017-01772-1 | Rights: | Attribution 4.0 International | Abstract: | 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. © 2017 The Author(s). | Source Title: | Nature Communications | URI: | https://scholarbank.nus.edu.sg/handle/10635/178556 | ISSN: | 2041-1723 | DOI: | 10.1038/s41467-017-01772-1 | Rights: | Attribution 4.0 International |
Appears in Collections: | Staff Publications Elements |
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