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arXiv · 1507.06253

First-principles evaluation of Multi-valent cation insertion into Orthorhombic V$_2$O$_5$

Gopalakrishnan Sai Gautam·Pieremanuele Canepa·Rahul Malik·Miao Liu·Kristin Persson·Gerbrand Ceder
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Abstract

A systematic first principles evaluation of the insertion behavior of multi-valent cations in orthorhombic V$_2$O$_5$ is performed. Layer spacing, voltage, phase stability, and ion mobility are computed for Li$^+$, Mg$^{2+}$, Zn$^{2+}$, Ca$^{2+}$, and Al$^{3+}$ intercalation in the $\alpha$ and $\delta$ polymorphs.

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Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin Persson, Gerbrand Ceder. 2015-07-22. First-principles evaluation of Multi-valent cation insertion into Orthorhombic V$_2$O$_5$. https://doi.org/10.1039/c5cc04947d

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