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Title: High magnesium mobility in ternary spinel chalcogenides

Abstract

Magnesium batteries appear a viable alternative to overcome the safety and energy density limitations faced by current lithium-ion technology. Furthermore, the development of a competitive magnesium battery is plagued by the existing notion of poor magnesium mobility in solids. 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.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3];  [4];  [5]; ORCiD logo [6];  [6];  [5]; ORCiD logo [7];  [3]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering; Shanghai Jiao Tong Univ. (China). Shanghai Jiao Tong Univ. Joint Inst.
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
  5. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  6. Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
  7. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science - Office of Basic Energy Sciences - Joint Center for Energy Storage Research (JCESR)
OSTI Identifier:
1417619
Alternate Identifier(s):
OSTI ID: 1427174
Grant/Contract Number:  
AC02-05CH11231; AC02-06CH11357; 3F-31144
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 25 ENERGY STORAGE; batteries

Citation Formats

Canepa, Pieremanuele, Bo, Shou-Hang, Sai Gautam, Gopalakrishnan, Key, Baris, Richards, William D., Shi, Tan, Tian, Yaosen, Wang, Yan, Li, Juchuan, and Ceder, Gerbrand. High magnesium mobility in ternary spinel chalcogenides. United States: N. p., 2017. Web. doi:10.1038/s41467-017-01772-1.
Canepa, Pieremanuele, Bo, Shou-Hang, Sai Gautam, Gopalakrishnan, Key, Baris, Richards, William D., Shi, Tan, Tian, Yaosen, Wang, Yan, Li, Juchuan, & Ceder, Gerbrand. High magnesium mobility in ternary spinel chalcogenides. United States. doi:10.1038/s41467-017-01772-1.
Canepa, Pieremanuele, Bo, Shou-Hang, Sai Gautam, Gopalakrishnan, Key, Baris, Richards, William D., Shi, Tan, Tian, Yaosen, Wang, Yan, Li, Juchuan, and Ceder, Gerbrand. Fri . "High magnesium mobility in ternary spinel chalcogenides". United States. doi:10.1038/s41467-017-01772-1. https://www.osti.gov/servlets/purl/1417619.
@article{osti_1417619,
title = {High magnesium mobility in ternary spinel chalcogenides},
author = {Canepa, Pieremanuele and Bo, Shou-Hang and Sai Gautam, Gopalakrishnan and Key, Baris and Richards, William D. and Shi, Tan and Tian, Yaosen and Wang, Yan and Li, Juchuan and Ceder, Gerbrand},
abstractNote = {Magnesium batteries appear a viable alternative to overcome the safety and energy density limitations faced by current lithium-ion technology. Furthermore, the development of a competitive magnesium battery is plagued by the existing notion of poor magnesium mobility in solids. 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.},
doi = {10.1038/s41467-017-01772-1},
journal = {Nature Communications},
number = 1,
volume = 8,
place = {United States},
year = {2017},
month = {11}
}

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    Works referencing / citing this record:

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