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Title: Magnesium ion mobility in post-spinels accessible at ambient pressure

We propose that Ti-containing post-spinels may offer a practically-accessible route to fast multivalent ion diffusion in close-packed oxide lattices, with the caveat that substantial thermodynamic driving forces for conversion reactions exist. First-principles modeling of a new mixed V/Ti post-spinel phase reveals a possible route to ambient-pressure oxide cathodes exhibiting fast Mg diffusion.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [2] ;  [3] ;  [4]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  3. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences 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
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 53; Journal Issue: 37; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1476453

Hannah, Daniel C., Sai Gautam, Gopalakrishnan, Canepa, Pieremanuele, Rong, Ziqin, and Ceder, Gerbrand. Magnesium ion mobility in post-spinels accessible at ambient pressure. United States: N. p., Web. doi:10.1039/c7cc01092c.
Hannah, Daniel C., Sai Gautam, Gopalakrishnan, Canepa, Pieremanuele, Rong, Ziqin, & Ceder, Gerbrand. Magnesium ion mobility in post-spinels accessible at ambient pressure. United States. doi:10.1039/c7cc01092c.
Hannah, Daniel C., Sai Gautam, Gopalakrishnan, Canepa, Pieremanuele, Rong, Ziqin, and Ceder, Gerbrand. 2017. "Magnesium ion mobility in post-spinels accessible at ambient pressure". United States. doi:10.1039/c7cc01092c. https://www.osti.gov/servlets/purl/1476453.
@article{osti_1476453,
title = {Magnesium ion mobility in post-spinels accessible at ambient pressure},
author = {Hannah, Daniel C. and Sai Gautam, Gopalakrishnan and Canepa, Pieremanuele and Rong, Ziqin and Ceder, Gerbrand},
abstractNote = {We propose that Ti-containing post-spinels may offer a practically-accessible route to fast multivalent ion diffusion in close-packed oxide lattices, with the caveat that substantial thermodynamic driving forces for conversion reactions exist. First-principles modeling of a new mixed V/Ti post-spinel phase reveals a possible route to ambient-pressure oxide cathodes exhibiting fast Mg diffusion.},
doi = {10.1039/c7cc01092c},
journal = {ChemComm},
number = 37,
volume = 53,
place = {United States},
year = {2017},
month = {4}
}

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