First-principles evaluation of multi-valent cation insertion into orthorhombic V[subscript 2]O[subscript 5]

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Canepa, Pieremanuele; Malik, Rahul; Liu, Miao; Persson, Kristin; Ceder, Gerbrand; ... Show more
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Abstract
A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V[subscript 2]O[subscript 5] is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li[superscript +], Mg[superscript 2+], Zn[superscript 2+], Ca[superscript 2+], and Al[superscript 3+] intercalation in the α and δ polymorphs.
Date issued
2015-07
URI
http://hdl.handle.net/1721.1/101873
Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Journal
Chem. Commun.
Publisher
Royal Society of Chemistry
Citation
Gautam, Gopalakrishnan Sai, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin Persson, and Gerbrand Ceder. “ First-Principles Evaluation of Multi-Valent Cation Insertion into Orthorhombic V[subscript 2]O[subscript 5].” Chem. Commun. 51, no. 71 (2015): 13619–13622. © 2015 Royal Society of Chemistry
Version: Final published version
ISSN
1359-7345
1364-548X
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