Magnesium ion mobility in post-spinels accessible at ambient pressure

Hannah, Daniel C.; Sai Gautam, Gopalakrishnan; Canepa, Pieremanuele; Rong, Ziqin; Ceder, Gerbrand

doi:10.1039/c7cc01092c

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

Journal Article · 18 April 2017 · ChemComm

DOI: https://doi.org/10.1039/c7cc01092c · OSTI ID:1476453

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^[2]; Rong, Ziqin ^[3]; Ceder, Gerbrand ^[4]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division
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
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
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

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1476453

Journal Information:: ChemComm, Vol. 53, Issue 37; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 19 works

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