Please use this identifier to cite or link to this item: https://doi.org/10.1038/s41467-017-01772-1
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
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