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

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...

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Bibliographic Details
Main Authors: Canepa, Pieremanuele (Contributor), Malik, Rahul (Contributor), Liu, Miao (Author), Persson, Kristin (Author), Ceder, Gerbrand (Author), Gopalakrishnan, Sai Gautam (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: Royal Society of Chemistry, 2016-03-25T16:39:40Z.
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