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

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, Malik, Rahul, Liu, Miao, Persson, Kristin, Ceder, Gerbrand, Gopalakrishnan, Sai Gautam
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: Royal Society of Chemistry 2016
Online Access:http://hdl.handle.net/1721.1/101873
https://orcid.org/0000-0002-1303-0976

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http://hdl.handle.net/1721.1/101873
https://orcid.org/0000-0002-1303-0976

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