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Issue 71, 2015
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First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5

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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 α and δ polymorphs.

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

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Article information


Submitted
15 Jun 2015
Accepted
22 Jul 2015
First published
22 Jul 2015

This article is Open Access

Chem. Commun., 2015,51, 13619-13622
Article type
Communication
Author version available

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

G. S. Gautam, P. Canepa, R. Malik, M. Liu, K. Persson and G. Ceder, Chem. Commun., 2015, 51, 13619
DOI: 10.1039/C5CC04947D

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