First-principles evaluation of multi-valent cation insertion into orthorhombic V₂O₅

Date Published	07/2015
Publication Type	Journal Article

Authors	Gopalakrishnan Sai Gautam Pieremanuele Canepa Rahul Malik Miao Liu Kristin A Persson Gerbrand Ceder
DOI	10.1039/C5CC04947D
Abstract	A systematic first-principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V2O5 is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li+ , Mg2+, Zn2+, Ca2+, and Al3+ intercalation in the a and d polymorphs.
Journal	Chemical Communications
Volume	51
Year of Publication	2015
Issue	71
Pagination	13619 - 13622
ISSN Number	1359-7345
Short Title	Chem. Commun.
Refereed Designation	Refereed
Organizations	Applied Energy Materials Group Energy Technologies & Systems Division
Research Areas	No Research Area
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First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5